4552-5650 Screening compound: 6-({[(3-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide

4552-5650 Screening compound: 6-({[(3-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
4552-5650 Screening compound: 6-({[(3-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide alternative view

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

InChI=1S/C30H25ClN4O4S/c1-18-27(29(37)35-21-9-5-4-6-10-21)28(19-12-13-24(38-2)25(14-19)39-3)23(16-32)30(33-18)40-17-26(36)34-22-11-7-8-20(31)15-22/h4-15H,17H2,1-3H3,(H,34,36)(H,35,37)

InChI Key

DIOMCXHLUQSCCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02999969

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

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • 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

How to purchase chemical compound 4552-5650?
Check Price and Availability of 4552-5650, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4552-5650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4552-5650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4552-5650
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4552-5650 available by request