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BAY8002

CAT: 1410-M20102-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M20102-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-8002 is a potent dual MCT1/2 inhibitor (IC50 values are 3 8 and 12 nM at rat (C6) human (DLD-1) and mouse (4T1) MCT1 respectively) .
CAS Number
724440-27-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
415.85
Molecular Formula
C20H14ClNO5S
Notes
Research use only, not for human use.
Receptor
MCT1

Chemical Information

Bay-8002

monocarboxylate transporter 1 inhibitor

CAS Number724440-27-1
PubChem CID992293
IUPAC Name2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid
Molecular FormulaC20H14ClNO5S
Molecular Weight415.8
XLogP4.3
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity671
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKey
CLAUJSRBKSRTGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bay-8002
CAS: 724440-27-1
CID: 992293
Formula: C20H14ClNO5S
MW: 415.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.8
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass415.0281214
Monoisotopic Mass415.0281214
Topological Polar Surface Area109 Ų
Heavy Atom Count28
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19158241-01BAY8002

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