0922-0116 Screening compound: (2E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoic acid

0922-0116 Screening compound: (2E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoic acid
0922-0116 Screening compound: (2E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0922-0116
(2E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoic acid

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

0922-0116

Molecular Formula

C11H10N2O5 (C11 H10 N2 O5)

Compound Name

(2E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoic acid

IUPAC name

(2E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoic acid

SMILES

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

InChI

InChI=1S/C11H10N2O5/c1-7(14)12-10(11(15)16)6-8-3-2-4-9(5-8)13(17)18/h2-6H,1H3,(H,12,14)(H,15,16)

InChI Key

PABMJKZMUOMZOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00436572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.734

Distribution Coefficient, logD

-1.978

Water Solubility, LogSw

-2.06

Polar Surface Area

84.123

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0922-0116 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 0922-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0922-0116?
Check Price and Availability of 0922-0116, 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 0922-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0922-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0922-0116
  • 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 0922-0116 available by request