K786-1994 Screening compound: 2-chlorophenyl 2-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

K786-1994 Screening compound: 2-chlorophenyl 2-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate
K786-1994 Screening compound: 2-chlorophenyl 2-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1994
2-chlorophenyl 2-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

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

K786-1994

Molecular Formula

C21H16Cl2N2O3S (C21 H16 Cl2 N2 O3 S)

Compound Name

2-chlorophenyl 2-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

IUPAC name

2-chlorophenyl 2-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

SMILES

Cc(ccc(NC(CSc1ncccc1C(Oc(cccc1)c1Cl)=O)=O)c1)c1Cl

InChI

InChI=1S/C21H16Cl2N2O3S/c1-13-8-9-14(11-17(13)23)25-19(26)12-29-20-15(5-4-10-24-20)21(27)28-18-7-3-2-6-16(18)22/h2-11H,12H2,1H3,(H,25,26)

InChI Key

CGFDEQURXCPQLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.729

Distribution Coefficient, logD

5.729

Water Solubility, LogSw

-5.79

Polar Surface Area

52.760

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K786-1994 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-1994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1994?
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What is the minimum amount of K786-1994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1994
  • 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 K786-1994 available by request