8013-3079 Screening compound: 2-[(5-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-{2-phenylimidazo[1,2-a]pyridin-3-yl}acetamide
Chemical Structure Depiction of ChemDiv screening compound 8013-3079
2-[(5-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-{2-phenylimidazo[1,2-a]pyridin-3-yl}acetamide
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
8013-3079
Molecular Formula
C22H16N6O3S (C22 H16 N6 O3 S)
Compound Name
2-[(5-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-{2-phenylimidazo[1,2-a]pyridin-3-yl}acetamide
IUPAC name
2-[(5-nitro-1H-13-benzodiazol-2-yl)sulfanyl]-N-{2-phenylimidazo[12-a]pyridin-3-yl}acetamide
SMILES
[O-][N+](c(cc1)cc2c1[nH]c(SCC(Nc1c(-c3ccccc3)nc3n1cccc3)=O)n2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
444.47
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.527
Distribution Coefficient, logD
2.873
Water Solubility, LogSw
-3.94
Polar Surface Area
83.039
Acid Dissociation Constant (pKa)
10.55
Base Dissociation Constant (pKb)
3.92
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
4.50
8013-3079 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
KRAS-Targeted Library (16000 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Kinases
- PPI modulators
References: we are preparing a list of scientific research reports with 8013-3079 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)