8011-7438 Screening compound: 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-N~3~-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide

8011-7438 Screening compound: 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-N~3~-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide
8011-7438 Screening compound: 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-N~3~-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7438
6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-N~3~-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide

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

8011-7438

Molecular Formula

C29H24Cl2N4O2S (C29 H24 Cl2 N4 O2 S)

Compound Name

6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-N~3~-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide

IUPAC name

6-({[(3-chloro-2-methylphenyl)carbamoyl]methyl}sulfanyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-14-dihydropyridine-3-carboxamide

SMILES

Cc(c(NC(CSC(NC(C)=C(C1c2ccccc2)C(Nc(cc2)ccc2Cl)=O)=C1C#N)=O)ccc1)c1Cl

InChI

InChI=1S/C29H24Cl2N4O2S/c1-17-23(31)9-6-10-24(17)35-25(36)16-38-29-22(15-32)27(19-7-4-3-5-8-19)26(18(2)33-29)28(37)34-21-13-11-20(30)12-14-21/h3-14,27,33H,16H2,1-2H3,(H,34,37)(H,35,36)/t27-/m0/s1

InChI Key

MPCODNUFADJUME-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02241239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.322

Distribution Coefficient, logD

5.608

Water Solubility, LogSw

-6.20

Polar Surface Area

72.373

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.79

8011-7438 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-7438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7438?
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What is the minimum amount of 8011-7438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7438
  • 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 8011-7438 available by request