4391-2022 Screening compound: 2-[(2Z)-3-(furan-2-yl)-2-[(3-nitrophenyl)formamido]prop-2-enamido]propanoic acid

4391-2022 Screening compound: 2-[(2Z)-3-(furan-2-yl)-2-[(3-nitrophenyl)formamido]prop-2-enamido]propanoic acid
4391-2022 Screening compound: 2-[(2Z)-3-(furan-2-yl)-2-[(3-nitrophenyl)formamido]prop-2-enamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4391-2022
2-[(2Z)-3-(furan-2-yl)-2-[(3-nitrophenyl)formamido]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

4391-2022

Molecular Formula

C17H15N3O7 (C17 H15 N3 O7)

Compound Name

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

IUPAC name

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

SMILES

CC(C(O)=O)NC(/C(/NC(c1cccc([N+]([O-])=O)c1)=O)=C/c1ccco1)=O

InChI

InChI=1S/C17H15N3O7/c1-10(17(23)24)18-16(22)14(9-13-6-3-7-27-13)19-15(21)11-4-2-5-12(8-11)20(25)26/h2-10H,1H3,(H,18,22)(H,19,21)(H,23,24)/t10-/m0/s1

InChI Key

QOHCJPKSLFMBAN-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03447469

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

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.692

Distribution Coefficient, logD

-2.706

Water Solubility, LogSw

-1.95

Polar Surface Area

115.549

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

4391-2022 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4391-2022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4391-2022?
Check Price and Availability of 4391-2022, 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 4391-2022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4391-2022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4391-2022
  • 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 4391-2022 available by request