1831-7496 Screening compound: (2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enamide

1831-7496 Screening compound: (2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enamide
1831-7496 Screening compound: (2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1831-7496
(2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enamide

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

1831-7496

Molecular Formula

C14H10N2O (C14 H10 N2 O)

Compound Name

(2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enamide

IUPAC name

(2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enamide

SMILES

NC(/C(/C#N)=C/c1cccc2ccccc12)=O

InChI

InChI=1S/C14H10N2O/c15-9-12(14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-8H,(H2,16,17)

InChI Key

AVMHTBJNERNMNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00121427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-2.84

Polar Surface Area

51.082

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1831-7496 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
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 1831-7496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1831-7496?
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What is the minimum amount of 1831-7496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1831-7496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1831-7496
  • 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 1831-7496 available by request