5622-0069 Screening compound: 2-[(2Z)-2-[(furan-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]acetic acid

5622-0069 Screening compound: 2-[(2Z)-2-[(furan-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]acetic acid
5622-0069 Screening compound: 2-[(2Z)-2-[(furan-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5622-0069
2-[(2Z)-2-[(furan-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]acetic 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

5622-0069

Molecular Formula

C16H13N3O7 (C16 H13 N3 O7)

Compound Name

2-[(2Z)-2-[(furan-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]acetic acid

IUPAC name

2-[(2Z)-2-[(furan-2-yl)formamido]-3-(4-nitrophenyl)prop-2-enamido]acetic acid

SMILES

[O-][N+](c1ccc(/C=C(/C(NCC(O)=O)=O)\NC(c2ccco2)=O)cc1)=O

InChI

InChI=1S/C16H13N3O7/c20-14(21)9-17-15(22)12(18-16(23)13-2-1-7-26-13)8-10-3-5-11(6-4-10)19(24)25/h1-8H,9H2,(H,17,22)(H,18,23)(H,20,21)

InChI Key

DNAOREXTJBCPCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01817714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.3

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.551

Distribution Coefficient, logD

-3.084

Water Solubility, LogSw

-1.76

Polar Surface Area

117.192

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

5622-0069 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5622-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5622-0069?
Check Price and Availability of 5622-0069, 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 5622-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5622-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5622-0069
  • 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 5622-0069 available by request