3771-9619 Screening compound: (2E)-3-(furan-2-yl)-2-[(3-nitrophenyl)formamido]prop-2-enoic acid

3771-9619 Screening compound: (2E)-3-(furan-2-yl)-2-[(3-nitrophenyl)formamido]prop-2-enoic acid
3771-9619 Screening compound: (2E)-3-(furan-2-yl)-2-[(3-nitrophenyl)formamido]prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3771-9619
(2E)-3-(furan-2-yl)-2-[(3-nitrophenyl)formamido]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

3771-9619

Molecular Formula

C14H10N2O6 (C14 H10 N2 O6)

Compound Name

(2E)-3-(furan-2-yl)-2-[(3-nitrophenyl)formamido]prop-2-enoic acid

IUPAC name

(2E)-3-(furan-2-yl)-2-[(3-nitrophenyl)formamido]prop-2-enoic acid

SMILES

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

InChI

InChI=1S/C14H10N2O6/c17-13(9-3-1-4-10(7-9)16(20)21)15-12(14(18)19)8-11-5-2-6-22-11/h1-8H,(H,15,17)(H,18,19)

InChI Key

FOEDHWKLJXWDTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02634247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.24

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.684

Distribution Coefficient, logD

-3.295

Water Solubility, LogSw

-2.05

Polar Surface Area

91.701

Acid Dissociation Constant (pKa)

2.42

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3771-9619 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3771-9619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3771-9619?
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What is the minimum amount of 3771-9619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3771-9619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3771-9619
  • 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 3771-9619 available by request