D276-0065 Screening compound: 2-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4,6-dimethyl-N-phenylpyridine-3-carboxamide

D276-0065 Screening compound: 2-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4,6-dimethyl-N-phenylpyridine-3-carboxamide
D276-0065 Screening compound: 2-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4,6-dimethyl-N-phenylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D276-0065
2-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4,6-dimethyl-N-phenylpyridine-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

D276-0065

Molecular Formula

C23H20N4O2S2 (C23 H20 N4 O2 S2)

Compound Name

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

IUPAC name

2-({[(13-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-46-dimethyl-N-phenylpyridine-3-carboxamide

SMILES

Cc1c(C(Nc2ccccc2)=O)c(SCC(Nc2nc(cccc3)c3s2)=O)nc(C)c1

InChI

InChI=1S/C23H20N4O2S2/c1-14-12-15(2)24-22(20(14)21(29)25-16-8-4-3-5-9-16)30-13-19(28)27-23-26-17-10-6-7-11-18(17)31-23/h3-12H,13H2,1-2H3,(H,25,29)(H,26,27,28)

InChI Key

OVYJRHFOJNYHDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

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

5.123

Distribution Coefficient, logD

5.122

Water Solubility, LogSw

-5.06

Polar Surface Area

64.522

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D276-0065 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D276-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D276-0065?
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What is the minimum amount of D276-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D276-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D276-0065
  • 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 D276-0065 available by request