D276-0911 Screening compound: 2-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-N-(3-chloro-4-methylphenyl)-4,6-dimethylpyridine-3-carboxamide

D276-0911 Screening compound: 2-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-N-(3-chloro-4-methylphenyl)-4,6-dimethylpyridine-3-carboxamide
D276-0911 Screening compound: 2-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-N-(3-chloro-4-methylphenyl)-4,6-dimethylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D276-0911
2-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-N-(3-chloro-4-methylphenyl)-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

D276-0911

Molecular Formula

C24H21ClN4O2S2 (C24 H21 ClN4 O2 S2)

Compound Name

2-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-N-(3-chloro-4-methylphenyl)-4,6-dimethylpyridine-3-carboxamide

IUPAC name

2-({[(13-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-N-(3-chloro-4-methylphenyl)-46-dimethylpyridine-3-carboxamide

SMILES

Cc(ccc(NC(c(c(C)cc(C)n1)c1SCC(Nc1nc(cccc2)c2s1)=O)=O)c1)c1Cl

InChI

InChI=1S/C24H21ClN4O2S2/c1-13-8-9-16(11-17(13)25)27-22(31)21-14(2)10-15(3)26-23(21)32-12-20(30)29-24-28-18-6-4-5-7-19(18)33-24/h4-11H,12H2,1-3H3,(H,27,31)(H,28,29,30)

InChI Key

SNEHSPUMLFAXKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.705

Distribution Coefficient, logD

6.639

Water Solubility, LogSw

-6.41

Polar Surface Area

64.522

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D276-0911 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D276-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D276-0911?
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What is the minimum amount of D276-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D276-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D276-0911
  • 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 D276-0911 available by request