8012-5566 Screening compound: 2,4,5,6-tetrachloro-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide

8012-5566 Screening compound: 2,4,5,6-tetrachloro-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
8012-5566 Screening compound: 2,4,5,6-tetrachloro-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5566
2,4,5,6-tetrachloro-N-[(4-chlorophenyl)methyl]pyridine-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

8012-5566

Molecular Formula

C13H7Cl5N2O (C13 H7 Cl5 N2 O)

Compound Name

2,4,5,6-tetrachloro-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide

IUPAC name

2456-tetrachloro-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide

SMILES

O=C(c(c(Cl)c(c(Cl)n1)Cl)c1Cl)NCc(cc1)ccc1Cl

InChI

InChI=1S/C13H7Cl5N2O/c14-7-3-1-6(2-4-7)5-19-13(21)8-9(15)10(16)12(18)20-11(8)17/h1-4H,5H2,(H,19,21)

InChI Key

JYLUQCKQLVXMPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.47

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

4.469

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-5.45

Polar Surface Area

34.542

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8012-5566 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-5566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5566?
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What is the minimum amount of 8012-5566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5566
  • 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 8012-5566 available by request