8020-1747 Screening compound: 3-(2,4-dimethoxyphenyl)-3-oxopropanenitrile

8020-1747 Screening compound: 3-(2,4-dimethoxyphenyl)-3-oxopropanenitrile
8020-1747 Screening compound: 3-(2,4-dimethoxyphenyl)-3-oxopropanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1747
3-(2,4-dimethoxyphenyl)-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

8020-1747

Molecular Formula

C11H11NO3 (C11 H11 NO3)

Compound Name

3-(2,4-dimethoxyphenyl)-3-oxopropanenitrile

IUPAC name

3-(24-dimethoxyphenyl)-3-oxopropanenitrile

SMILES

COc(cc1)cc(OC)c1C(CC#N)=O

InChI

InChI=1S/C11H11NO3/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7H,5H2,1-2H3

InChI Key

ZLENRTUQTZZRDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02260816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.427

Distribution Coefficient, logD

0.157

Water Solubility, LogSw

-2.24

Polar Surface Area

46.151

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8020-1747 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-1747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1747?
Check Price and Availability of 8020-1747, 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 8020-1747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1747
  • 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 8020-1747 available by request