3627-0181 Screening compound: N-(3-chloro-2-methylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide

3627-0181 Screening compound: N-(3-chloro-2-methylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
3627-0181 Screening compound: N-(3-chloro-2-methylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3627-0181
N-(3-chloro-2-methylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]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

3627-0181

Molecular Formula

C18H17ClN2O2S2 (C18 H17 ClN2 O2 S2)

Compound Name

N-(3-chloro-2-methylphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-[(6-ethoxy-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

CCOc(cc1)cc2c1nc(SCC(Nc1cccc(Cl)c1C)=O)s2

InChI

InChI=1S/C18H17ClN2O2S2/c1-3-23-12-7-8-15-16(9-12)25-18(21-15)24-10-17(22)20-14-6-4-5-13(19)11(14)2/h4-9H,3,10H2,1-2H3,(H,20,22)

InChI Key

UCPDCEGVNDQJHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02157545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.451

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-5.93

Polar Surface Area

38.623

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3627-0181 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3627-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3627-0181?
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What is the minimum amount of 3627-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3627-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3627-0181
  • 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 3627-0181 available by request