D276-0770 Screening compound: 2-{[(benzylcarbamoyl)methyl]sulfanyl}-N-(3-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide

D276-0770 Screening compound: 2-{[(benzylcarbamoyl)methyl]sulfanyl}-N-(3-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
D276-0770 Screening compound: 2-{[(benzylcarbamoyl)methyl]sulfanyl}-N-(3-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D276-0770
2-{[(benzylcarbamoyl)methyl]sulfanyl}-N-(3-chlorophenyl)-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

D276-0770

Molecular Formula

C23H22ClN3O2S (C23 H22 ClN3 O2 S)

Compound Name

2-{[(benzylcarbamoyl)methyl]sulfanyl}-N-(3-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide

IUPAC name

2-{[(benzylcarbamoyl)methyl]sulfanyl}-N-(3-chlorophenyl)-46-dimethylpyridine-3-carboxamide

SMILES

Cc1cc(C)nc(SCC(NCc2ccccc2)=O)c1C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C23H22ClN3O2S/c1-15-11-16(2)26-23(21(15)22(29)27-19-10-6-9-18(24)12-19)30-14-20(28)25-13-17-7-4-3-5-8-17/h3-12H,13-14H2,1-2H3,(H,25,28)(H,27,29)

InChI Key

KBXGPNBFGVPRNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087142

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

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

4.929

Water Solubility, LogSw

-5.14

Polar Surface Area

56.083

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with D276-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D276-0770?
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What is the minimum amount of D276-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D276-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D276-0770
  • 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 D276-0770 available by request