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SC75741

CAT: 0127-BUP03003-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03003-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
913822-46-5
Purity
=98%
Smiles
O=C(Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1)c1csc(n1)C1CCN(CC1)c1ncnc2ccsc12

Chemical Information

N-(6-benzoyl-1H-benzimidazol-2-yl)-2-(1-thieno(3,2-d)pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

SC75741 is an organic molecular entity. It has a role as a NF-kappaB inhibitor.

CAS Number913822-46-5
PubChem CID23661638
IUPAC NameN-(6-benzoyl-1H-benzimidazol-2-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
Molecular FormulaC29H23N7O2S2
Molecular Weight565.7
XLogP5.5
Topological Polar Surface Area173
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity915
SMILES
C1CN(CCC1C2=NC(=CS2)C(=O)NC3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5)C6=NC=NC7=C6SC=C7
InChI
InChI=1S/C29H23N7O2S2/c37-24(17-4-2-1-3-5-17)19-6-7-20-22(14-19)34-29(33-20)35-27(38)23-15-40-28(32-23)18-8-11-36(12-9-18)26-25-21(10-13-39-25)30-16-31-26/h1-7,10,13-16,18H,8-9,11-12H2,(H2,33,34,35,38)
InChIKey
QNZVBFMXWNWVKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-(1-thieno(3,2-d)pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CAS: 913822-46-5
CID: 23661638
Formula: C29H23N7O2S2
MW: 565.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.7
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass565.13546535
Monoisotopic Mass565.13546535
Topological Polar Surface Area173 Ų
Heavy Atom Count40
Formal Charge0
Complexity915
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
B4749-10SC75741
A14278-50SC75741 50mg
A14278-25SC75741 25mg
A14278-10SC75741 10mg

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