8015-1253 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

8015-1253 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
8015-1253 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1253
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,3-benzoxazol-2-ylsulfanyl)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

8015-1253

Molecular Formula

C17H14N2O4S (C17 H14 N2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(13-benzoxazol-2-ylsulfanyl)acetamide

SMILES

O=C(CSc1nc(cccc2)c2o1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H14N2O4S/c20-16(9-24-17-19-12-3-1-2-4-13(12)23-17)18-8-11-5-6-14-15(7-11)22-10-21-14/h1-7H,8-10H2,(H,18,20)

InChI Key

QNIBTJYTWACJKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02716239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-3.38

Polar Surface Area

58.217

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8015-1253 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1253?
Check Price and Availability of 8015-1253, 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 8015-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1253
  • 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 8015-1253 available by request