5622-0016 Screening compound: 3-[(2Z)-2-[(furan-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]propanoic acid

5622-0016 Screening compound: 3-[(2Z)-2-[(furan-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]propanoic acid
5622-0016 Screening compound: 3-[(2Z)-2-[(furan-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5622-0016
3-[(2Z)-2-[(furan-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]propanoic 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

5622-0016

Molecular Formula

C17H15N3O7 (C17 H15 N3 O7)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(/C=C(/C(NCCC(O)=O)=O)\NC(c2ccco2)=O)ccc1)=O

InChI

InChI=1S/C17H15N3O7/c21-15(22)6-7-18-16(23)13(19-17(24)14-5-2-8-27-14)10-11-3-1-4-12(9-11)20(25)26/h1-5,8-10H,6-7H2,(H,18,23)(H,19,24)(H,21,22)

InChI Key

YENWHBXQSZDNOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01817670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.32

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.490

Distribution Coefficient, logD

-2.206

Water Solubility, LogSw

-1.89

Polar Surface Area

117.033

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5622-0016 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5622-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5622-0016?
Check Price and Availability of 5622-0016, 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 5622-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5622-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5622-0016
  • 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 5622-0016 available by request