D336-1903 Screening compound: 4-ethoxy-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

D336-1903 Screening compound: 4-ethoxy-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
D336-1903 Screening compound: 4-ethoxy-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1903
4-ethoxy-N-(2-{[(phenylcarbamoyl)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

D336-1903

Molecular Formula

C24H21N3O3S2 (C24 H21 N3 O3 S2)

Compound Name

4-ethoxy-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

IUPAC name

4-ethoxy-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-13-benzothiazol-6-yl)benzamide

SMILES

CCOc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(Nc1ccccc1)=O)s2)=O

InChI

InChI=1S/C24H21N3O3S2/c1-2-30-19-11-8-16(9-12-19)23(29)26-18-10-13-20-21(14-18)32-24(27-20)31-15-22(28)25-17-6-4-3-5-7-17/h3-14H,2,15H2,1H3,(H,25,28)(H,26,29)

InChI Key

OAMWQYCHSYANAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.29

Polar Surface Area

62.413

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D336-1903 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D336-1903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1903?
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What is the minimum amount of D336-1903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1903
  • 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 D336-1903 available by request