K400-08838 Screening compound: N-{[4-(3-chlorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Chemical Structure Depiction of ChemDiv screening compound K400-08838
N-{[4-(3-chlorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
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
K400-08838
Molecular Formula
C23H22ClN7O4S3 (C23 H22 ClN7 O4 S3)
Compound Name
N-{[4-(3-chlorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
IUPAC name
N-{[4-(3-chlorophenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
SMILES
CN(C)S(c(cc1)ccc1C(NCc(n1-c2cccc(Cl)c2)nnc1SCC(Nc1nccs1)=O)=O)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
592.12
Hydrogen Bond Acceptors Count
13.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
2.706
Distribution Coefficient, logD
2.706
Water Solubility, LogSw
-3.62
Polar Surface Area
117.665
Acid Dissociation Constant (pKa)
10.41
Base Dissociation Constant (pKb)
0.17
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.40
K400-08838 in Drug Discovery
Included in Screening Libraries
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with K400-08838 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)