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BRD7586

CAT: 0931-T73444-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T73444-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
895460-70-5
Target
Antibacterial, CRISPR/Cas9
Related Pathways
DNA Damage/DNA Repair, Microbiology/Virology
Purity
0.9903
Bioactivity
BRD7586 is a cell-permeable small molecule inhibitor of SpCas9 that enhances SpCas9 specificity.
Smiles
O=C(NC1=NC(=CS1)C=2C=CN=CC2)CCS(=O)(=O)C3=CC=C(Cl)C=C3
Molecular Formula
C17H14ClN3O3S2
Molecular Weight
407.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-((4-chlorophenyl)sulfonyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)propanamide
CAS Number895460-70-5
PubChem CID22581367
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
Molecular FormulaC17H14ClN3O3S2
Molecular Weight407.9
XLogP2.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity570
SMILES
C1=CC(=CC=C1S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CC=NC=C3)Cl
InChI
InChI=1S/C17H14ClN3O3S2/c18-13-1-3-14(4-2-13)26(23,24)10-7-16(22)21-17-20-15(11-25-17)12-5-8-19-9-6-12/h1-6,8-9,11H,7,10H2,(H,20,21,22)
InChIKey
MLSIIIMAQNQEOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((4-chlorophenyl)sulfonyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)propanamide
CAS: 895460-70-5
CID: 22581367
Formula: C17H14ClN3O3S2
MW: 407.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.9
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass407.0165114
Monoisotopic Mass407.0165114
Topological Polar Surface Area126 Ų
Heavy Atom Count26
Formal Charge0
Complexity570
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

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