D276-0086 Screening compound: 2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4,6-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide

D276-0086 Screening compound: 2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4,6-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide
D276-0086 Screening compound: 2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4,6-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D276-0086
2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4,6-dimethyl-N-(4-methylphenyl)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

D276-0086

Molecular Formula

C23H22ClN3O2S (C23 H22 ClN3 O2 S)

Compound Name

2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4,6-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide

IUPAC name

2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-46-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide

SMILES

Cc(cc1)ccc1NC(c1c(C)cc(C)nc1SCC(Nc(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C23H22ClN3O2S/c1-14-8-10-17(11-9-14)26-22(29)21-15(2)12-16(3)25-23(21)30-13-20(28)27-19-7-5-4-6-18(19)24/h4-12H,13H2,1-3H3,(H,26,29)(H,27,28)

InChI Key

HKPQNEQPEUUOHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10086992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.019

Distribution Coefficient, logD

5.018

Water Solubility, LogSw

-5.26

Polar Surface Area

54.063

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with D276-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D276-0086?
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What is the minimum amount of D276-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D276-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D276-0086
  • 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 D276-0086 available by request