8020-1876 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)acetonitrile

8020-1876 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)acetonitrile
8020-1876 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1876
2-(1,3-benzoxazol-2-ylsulfanyl)acetonitrile

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

8020-1876

Molecular Formula

C9H6N2OS (C9 H6 N2 OS)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)acetonitrile

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)acetonitrile

SMILES

N#CCSc1nc(cccc2)c2o1

InChI

InChI=1S/C9H6N2OS/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9/h1-4H,6H2

InChI Key

VWAKZRVRLFIMDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01439194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.254

Distribution Coefficient, logD

2.254

Water Solubility, LogSw

-2.29

Polar Surface Area

34.394

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8020-1876 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8020-1876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1876?
Check Price and Availability of 8020-1876, 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 8020-1876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1876
  • 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 8020-1876 available by request