C612-0376 Screening compound: 3-(2-methoxyphenyl)-3-oxopropanenitrile

C612-0376 Screening compound: 3-(2-methoxyphenyl)-3-oxopropanenitrile
C612-0376 Screening compound: 3-(2-methoxyphenyl)-3-oxopropanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0376
3-(2-methoxyphenyl)-3-oxopropanenitrile

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

C612-0376

Molecular Formula

C10H9NO2 (C10 H9 NO2)

Compound Name

3-(2-methoxyphenyl)-3-oxopropanenitrile

IUPAC name

3-(2-methoxyphenyl)-3-oxopropanenitrile

SMILES

COc(cccc1)c1C(CC#N)=O

InChI

InChI=1S/C10H9NO2/c1-13-10-5-3-2-4-8(10)9(12)6-7-11/h2-5H,6H2,1H3

InChI Key

VJOMMMVJTFRJAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

175.19

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

1.227

Distribution Coefficient, logD

-0.043

Water Solubility, LogSw

-2.08

Polar Surface Area

38.608

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C612-0376 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C612-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0376?
Check Price and Availability of C612-0376, 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 C612-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0376
  • 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 C612-0376 available by request