D336-3442 Screening compound: 2-(2-chlorophenoxy)-N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide

D336-3442 Screening compound: 2-(2-chlorophenoxy)-N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
D336-3442 Screening compound: 2-(2-chlorophenoxy)-N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-3442
2-(2-chlorophenoxy)-N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide

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

D336-3442

Molecular Formula

C20H15ClN4O3S3 (C20 H15 ClN4 O3 S3)

Compound Name

2-(2-chlorophenoxy)-N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide

IUPAC name

2-(2-chlorophenoxy)-N-[2-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]acetamide

SMILES

O=C(COc(cccc1)c1Cl)Nc(cc1)cc2c1nc(SCC(Nc1nccs1)=O)s2

InChI

InChI=1S/C20H15ClN4O3S3/c21-13-3-1-2-4-15(13)28-10-17(26)23-12-5-6-14-16(9-12)31-20(24-14)30-11-18(27)25-19-22-7-8-29-19/h1-9H,10-11H2,(H,23,26)(H,22,25,27)

InChI Key

LEWPXRRSPLXLHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.734

Distribution Coefficient, logD

4.734

Water Solubility, LogSw

-4.93

Polar Surface Area

73.140

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D336-3442 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D336-3442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-3442?
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What is the minimum amount of D336-3442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-3442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-3442
  • 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 D336-3442 available by request