8010-3878 Screening compound: (2E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid

8010-3878 Screening compound: (2E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
8010-3878 Screening compound: (2E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3878
(2E)-3-(5-nitrofuran-2-yl)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

8010-3878

Molecular Formula

C7H5NO5 (C7 H5 NO5)

Compound Name

(2E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid

IUPAC name

(2E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid

SMILES

[O-][N+](c1ccc(/C=C/C(O)=O)o1)=O

InChI

InChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)

InChI Key

LWOWNIPZHGWKNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00143078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

183.12

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

-2.770

Water Solubility, LogSw

-1.75

Polar Surface Area

70.453

Acid Dissociation Constant (pKa)

3.33

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8010-3878 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8010-3878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3878?
Check Price and Availability of 8010-3878, 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 8010-3878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3878
  • 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 8010-3878 available by request