8013-0399 Screening compound: 2,5-dichloro-N-(2-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide

8013-0399 Screening compound: 2,5-dichloro-N-(2-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide
8013-0399 Screening compound: 2,5-dichloro-N-(2-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0399
2,5-dichloro-N-(2-ethylphenyl)-4,6-dimethylpyridine-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

8013-0399

Molecular Formula

C16H16Cl2N2O (C16 H16 Cl2 N2 O)

Compound Name

2,5-dichloro-N-(2-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide

IUPAC name

25-dichloro-N-(2-ethylphenyl)-46-dimethylpyridine-3-carboxamide

SMILES

CCc(cccc1)c1NC(c1c(C)c(Cl)c(C)nc1Cl)=O

InChI

InChI=1S/C16H16Cl2N2O/c1-4-11-7-5-6-8-12(11)20-16(21)13-9(2)14(17)10(3)19-15(13)18/h5-8H,4H2,1-3H3,(H,20,21)

InChI Key

WSBVPEBNCNPMOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.782

Distribution Coefficient, logD

4.756

Water Solubility, LogSw

-5.05

Polar Surface Area

32.462

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8013-0399 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8013-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0399?
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What is the minimum amount of 8013-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0399
  • 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 8013-0399 available by request