D276-0339 Screening compound: 4,6-dimethyl-N-(3-methylphenyl)-2-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide

D276-0339 Screening compound: 4,6-dimethyl-N-(3-methylphenyl)-2-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide
D276-0339 Screening compound: 4,6-dimethyl-N-(3-methylphenyl)-2-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D276-0339
4,6-dimethyl-N-(3-methylphenyl)-2-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)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

D276-0339

Molecular Formula

C26H29N3O2S (C26 H29 N3 O2 S)

Compound Name

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

IUPAC name

46-dimethyl-N-(3-methylphenyl)-2-({[(246-trimethylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide

SMILES

Cc1cccc(NC(c2c(C)cc(C)nc2SCC(Nc2c(C)cc(C)cc2C)=O)=O)c1

InChI

InChI=1S/C26H29N3O2S/c1-15-8-7-9-21(12-15)28-25(31)23-17(3)13-20(6)27-26(23)32-14-22(30)29-24-18(4)10-16(2)11-19(24)5/h7-13H,14H2,1-6H3,(H,28,31)(H,29,30)

InChI Key

AKEADVBGXCJSLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

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

5.418

Distribution Coefficient, logD

5.418

Water Solubility, LogSw

-5.36

Polar Surface Area

53.365

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

D276-0339 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D276-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D276-0339?
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What is the minimum amount of D276-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D276-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D276-0339
  • 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 D276-0339 available by request