SB228357

CAT: 0931-T16856-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T16856-05Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

181629-93-6

Target

5-HT Receptor

Related Pathways

Neuroscience, GPCR/G Protein

Purity

0.9982

Bioactivity

SB228357 is a potent and selective antagonist of the 5-HT receptor with pKis of 6.9, 8.0, and 9.0 for 5-HT2A, 5-HT2B, and 5-HT2C, respectively.

Smiles

COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F

Molecular Formula

C22H17F4N3O2

Molecular Weight

431.38

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

SB 228357

SB 228357 is an indolyl carboxylic acid.

CAS Number	181629-93-6
PubChem CID	443390
IUPAC Name	N-(3-fluoro-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Molecular Formula	C22H17F4N3O2
Molecular Weight	431.4
XLogP	4.2
Topological Polar Surface Area	54.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	31
Formal Charge	0
Complexity	634

SMILES

COC1=C(C=C2C(=C1)CCN2C(=O)NC3=CC(=CC(=C3)C4=CN=CC=C4)F)C(F)(F)F

InChI

InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)

InChIKey

RRJLJKRFFRZRAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 181629-93-6

CID: 443390

Formula: C22H17F4N3O2

MW: 431.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	431.4
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	431.12568944
Monoisotopic Mass	431.12568944
Topological Polar Surface Area	54.5 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	634
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

Alternative Products

Catalog	Name
HY-103154-01	SB228357

SB228357

Chemical Information

Alternative Products

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