4552-5650 Screening compound: 6-({[(3-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound 4552-5650
6-({[(3-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
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
4552-5650
Molecular Formula
C30H25ClN4O4S (C30 H25 ClN4 O4 S)
Compound Name
6-({[(3-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
IUPAC name
6-({[(3-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(34-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
SMILES
Cc(nc1SCC(Nc2cccc(Cl)c2)=O)c(C(Nc2ccccc2)=O)c(-c(cc2)cc(OC)c2OC)c1C#N
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
573.07
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.864
Distribution Coefficient, logD
5.864
Water Solubility, LogSw
-6.00
Polar Surface Area
87.577
Acid Dissociation Constant (pKa)
10.34
Base Dissociation Constant (pKb)
-0.84
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.30
4552-5650 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
C-Met Library (15277 compounds)
MCL1 Targeted Library (12200 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Endocrine
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with 4552-5650 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)