1988-0983 Screening compound: (2E)-3-(3-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide

1988-0983 Screening compound: (2E)-3-(3-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide
1988-0983 Screening compound: (2E)-3-(3-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0983
(2E)-3-(3-nitrophenyl)-N-(prop-2-en-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

1988-0983

Molecular Formula

C12H12N2O3 (C12 H12 N2 O3)

Compound Name

(2E)-3-(3-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide

IUPAC name

(2E)-3-(3-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide

SMILES

C=CCNC(/C=C/c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C12H12N2O3/c1-2-8-13-12(15)7-6-10-4-3-5-11(9-10)14(16)17/h2-7,9H,1,8H2,(H,13,15)

InChI Key

PXHUGIIHYUKLNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01181359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.466

Distribution Coefficient, logD

2.466

Water Solubility, LogSw

-2.83

Polar Surface Area

57.933

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1988-0983 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1988-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0983?
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What is the minimum amount of 1988-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0983
  • 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 1988-0983 available by request