SR-318

CAT: 0926-NWD28632-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-NWD28632-02Size:50 mg

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CAS Number

2413286-32-3

Smiles

CN1C=C (C=N1) N2C=NC3=C (N=C (N=C32) N4CCOCC4) NCC5=NC6=CC (=C (C=C6N5) Cl) Cl

Molecular Formula

C21H20Cl2N10O

Molecular Weight

499.4 g/mol

Controlled

Chemical Information

SR-318

p38 MAP kinase inhibitor

CAS Number	2413286-32-3
PubChem CID	139030333
IUPAC Name	5-amino-N-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
Molecular Formula	C27H33N5O2
Molecular Weight	459.6
XLogP	5.6
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	34
Formal Charge	0
Complexity	639

SMILES

C1CCC(CC1)CCCNC(=O)C2=CC=C(C=C2)CNC(=O)C3=C(N(N=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)

InChIKey

HXNUFFCHRIWTRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2413286-32-3

CID: 139030333

Formula: C27H33N5O2

MW: 459.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	459.6
XLogP3	5.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	459.26342531
Monoisotopic Mass	459.26342531
Topological Polar Surface Area	102 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	639
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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