8009-8865 Screening compound: 5-cyano-N~3~-(2,4-dimethylphenyl)-2-methyl-6-sulfanyl-4-(2-thienyl)nicotinamide

8009-8865 Screening compound: 5-cyano-N~3~-(2,4-dimethylphenyl)-2-methyl-6-sulfanyl-4-(2-thienyl)nicotinamide
8009-8865 Screening compound: 5-cyano-N~3~-(2,4-dimethylphenyl)-2-methyl-6-sulfanyl-4-(2-thienyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8865
5-cyano-N~3~-(2,4-dimethylphenyl)-2-methyl-6-sulfanyl-4-(2-thienyl)nicotinamide

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

8009-8865

Molecular Formula

C20H17N3OS2 (C20 H17 N3 OS2)

Compound Name

5-cyano-N~3~-(2,4-dimethylphenyl)-2-methyl-6-sulfanyl-4-(2-thienyl)nicotinamide

IUPAC name

5-cyano-N-(24-dimethylphenyl)-2-methyl-6-sulfanyl-4-(thiophen-2-yl)pyridine-3-carboxamide

SMILES

Cc(cc1)cc(C)c1NC(c(c(-c1cccs1)c1C#N)c(C)nc1S)=O

InChI

InChI=1S/C20H17N3OS2/c1-11-6-7-15(12(2)9-11)23-19(24)17-13(3)22-20(25)14(10-21)18(17)16-5-4-8-26-16/h4-9H,1-3H3,(H,22,25)(H,23,24)

InChI Key

DVMMVTBLYDQELW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01789311

Chemical and Physical Properties

Saltdata

O(CH2CH2)2NCH3

Molecular Weight

379.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

2.238

Water Solubility, LogSw

-4.50

Polar Surface Area

49.197

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

8009-8865 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8009-8865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8865?
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What is the minimum amount of 8009-8865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8865
  • 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 8009-8865 available by request