7074-0042 Screening compound: 3-[3-(2-chlorophenoxy)propyl]-2,3-dihydro-1,3-benzothiazol-2-one

7074-0042 Screening compound: 3-[3-(2-chlorophenoxy)propyl]-2,3-dihydro-1,3-benzothiazol-2-one
7074-0042 Screening compound: 3-[3-(2-chlorophenoxy)propyl]-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7074-0042
3-[3-(2-chlorophenoxy)propyl]-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

7074-0042

Molecular Formula

C16H14ClNO2S (C16 H14 ClNO2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1Sc(cccc2)c2N1CCCOc(cccc1)c1Cl

InChI

InChI=1S/C16H14ClNO2S/c17-12-6-1-3-8-14(12)20-11-5-10-18-13-7-2-4-9-15(13)21-16(18)19/h1-4,6-9H,5,10-11H2

InChI Key

AZDSJSFJKKSRTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06651195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

4.503

Water Solubility, LogSw

-4.50

Polar Surface Area

23.294

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

7074-0042 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7074-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7074-0042?
Check Price and Availability of 7074-0042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7074-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7074-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7074-0042
  • 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 7074-0042 available by request