D112-0162 Screening compound: 6-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

D112-0162 Screening compound: 6-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid
D112-0162 Screening compound: 6-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D112-0162
6-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

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

D112-0162

Molecular Formula

C14H11ClN2O3S (C14 H11 ClN2 O3 S)

Compound Name

6-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

IUPAC name

6-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

SMILES

OC(c(cc1)cnc1SCC(Nc(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C14H11ClN2O3S/c15-10-3-1-2-4-11(10)17-12(18)8-21-13-6-5-9(7-16-13)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)

InChI Key

PDDLCQFDHFYQJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.535

Distribution Coefficient, logD

-0.340

Water Solubility, LogSw

-3.04

Polar Surface Area

59.325

Acid Dissociation Constant (pKa)

4.53

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D112-0162 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D112-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D112-0162?
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What is the minimum amount of D112-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D112-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D112-0162
  • 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 D112-0162 available by request