7074-0029 Screening compound: 3-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1,3-benzothiazol-2-one

7074-0029 Screening compound: 3-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1,3-benzothiazol-2-one
7074-0029 Screening compound: 3-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7074-0029
3-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1,3-benzothiazol-2-one

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

7074-0029

Molecular Formula

C15H12ClNO2S (C15 H12 ClNO2 S)

Compound Name

3-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

3-[2-(2-chlorophenoxy)ethyl]-23-dihydro-13-benzothiazol-2-one

SMILES

O=C1Sc(cccc2)c2N1CCOc(cccc1)c1Cl

InChI

InChI=1S/C15H12ClNO2S/c16-11-5-1-3-7-13(11)19-10-9-17-12-6-2-4-8-14(12)20-15(17)18/h1-8H,9-10H2

InChI Key

UXQIMKIMAPSSIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05668341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.34

Polar Surface Area

23.294

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

7074-0029 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 7074-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7074-0029?
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What is the minimum amount of 7074-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7074-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7074-0029
  • 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 7074-0029 available by request