D336-1919 Screening compound: N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

D336-1919 Screening compound: N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
D336-1919 Screening compound: N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1919
N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

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

D336-1919

Molecular Formula

C23H19N3O2S2 (C23 H19 N3 O2 S2)

Compound Name

N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

IUPAC name

N-[2-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]benzamide

SMILES

Cc(cccc1)c1NC(CSc1nc(ccc(NC(c2ccccc2)=O)c2)c2s1)=O

InChI

InChI=1S/C23H19N3O2S2/c1-15-7-5-6-10-18(15)25-21(27)14-29-23-26-19-12-11-17(13-20(19)30-23)24-22(28)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,24,28)(H,25,27)

InChI Key

QGWXDQRIOYPKAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03355818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

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

4.829

Distribution Coefficient, logD

4.829

Water Solubility, LogSw

-4.56

Polar Surface Area

54.591

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D336-1919 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 D336-1919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1919?
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What is the minimum amount of D336-1919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1919
  • 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 D336-1919 available by request