TM-38837 - CAS 1253641-65-4

Catalog:	BB024848
Product Name:	TM-38837
CAS:	1253641-65-4
Synonyms:	TM38837; TM 38837; 1-(2,4-Dichlorophenyl)-4-ethyl-N-(piperidin-1-yl)-5-(5-((4-(trifluoromethyl)phenyl)ethynyl)thiophen-2-yl)-1H-pyrazole-3-carboxamide; N-Piperidino-1-(2,4-dichlorophenyl)-4-ethyl-5-[5-[4-(trifluoromethyl)phenylethynyl]-2-thienyl]-1H-pyrazole-3-carboxamide

Technical Data

IUPAC Name:	1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-5-[5-[2-[4-(trifluoromethyl)phenyl]ethynyl]thiophen-2-yl]pyrazole-3-carboxamide
Description:	TM-38837 is a peripheral selective cannabinoid receptor 1 (CB1) receptor antagonist.
Molecular Weight:	617.51
Molecular Formula:	C30H25Cl2F3N4OS
Canonical SMILES:	CCC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(S4)C#CC5=CC=C(C=C5)C(F)(F)F
InChI:	InChI=1S/C30H25Cl2F3N4OS/c1-2-23-27(29(40)37-38-16-4-3-5-17-38)36-39(25-14-11-21(31)18-24(25)32)28(23)26-15-13-22(41-26)12-8-19-6-9-20(10-7-19)30(33,34)35/h6-7,9-11,13-15,18H,2-5,16-17H2,1H3,(H,37,40)
InChI Key:	VQOCBFYUDSBDCZ-UHFFFAOYSA-N
Purity:	≥ 95 %
Density:	1.4±0.1 g/cm³
Solubility:	Soluble in DMSO, Ethanol
Appearance:	White solid
Storage:	Store at -20 °C

Complexity:	962
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	616.1078225
Formal Charge:	0
Heavy Atom Count:	41
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	616.1078225
Rotatable Bond Count:	7
Topological Polar Surface Area:	78.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	9