7074-0070 Screening compound: 3-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one

7074-0070 Screening compound: 3-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one
7074-0070 Screening compound: 3-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7074-0070
3-{[4-(propan-2-yloxy)phenyl]methyl}-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

7074-0070

Molecular Formula

C17H17NO2S (C17 H17 NO2 S)

Compound Name

3-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

3-{[4-(propan-2-yloxy)phenyl]methyl}-23-dihydro-13-benzothiazol-2-one

SMILES

CC(C)Oc1ccc(CN(c(cccc2)c2S2)C2=O)cc1

InChI

InChI=1S/C17H17NO2S/c1-12(2)20-14-9-7-13(8-10-14)11-18-15-5-3-4-6-16(15)21-17(18)19/h3-10,12H,11H2,1-2H3

InChI Key

VPKBEVUEBCFSBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.39

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

4.359

Distribution Coefficient, logD

4.359

Water Solubility, LogSw

-4.23

Polar Surface Area

22.614

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

7074-0070 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7074-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7074-0070?
Check Price and Availability of 7074-0070, 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 7074-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7074-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7074-0070
  • 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 7074-0070 available by request