8011-7507 Screening compound: 5-cyano-6-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N~3~,4-diphenyl-1,4-dihydro-3-pyridinecarboxamide

8011-7507 Screening compound: 5-cyano-6-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N~3~,4-diphenyl-1,4-dihydro-3-pyridinecarboxamide
8011-7507 Screening compound: 5-cyano-6-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N~3~,4-diphenyl-1,4-dihydro-3-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7507
5-cyano-6-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N~3~,4-diphenyl-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

8011-7507

Molecular Formula

C30H28N4O2S (C30 H28 N4 O2 S)

Compound Name

5-cyano-6-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N~3~,4-diphenyl-1,4-dihydro-3-pyridinecarboxamide

IUPAC name

5-cyano-6-({[(23-dimethylphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N4-diphenyl-14-dihydropyridine-3-carboxamide

SMILES

Cc1cccc(NC(CSC(NC(C)=C(C2c3ccccc3)C(Nc3ccccc3)=O)=C2C#N)=O)c1C

InChI

InChI=1S/C30H28N4O2S/c1-19-11-10-16-25(20(19)2)34-26(35)18-37-30-24(17-31)28(22-12-6-4-7-13-22)27(21(3)32-30)29(36)33-23-14-8-5-9-15-23/h4-16,28,32H,18H2,1-3H3,(H,33,36)(H,34,35)/t28-/m0/s1

InChI Key

VMEZPXRMJFTTDV-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02241148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

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

5.358

Distribution Coefficient, logD

4.644

Water Solubility, LogSw

-5.37

Polar Surface Area

72.373

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

8011-7507 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 8011-7507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7507?
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What is the minimum amount of 8011-7507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7507
  • 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 8011-7507 available by request