2712-3527 Screening compound: 2-methoxy-4-[(1E)-2-nitroethenyl]phenyl furan-2-carboxylate

2712-3527 Screening compound: 2-methoxy-4-[(1E)-2-nitroethenyl]phenyl furan-2-carboxylate
2712-3527 Screening compound: 2-methoxy-4-[(1E)-2-nitroethenyl]phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-3527
2-methoxy-4-[(1E)-2-nitroethenyl]phenyl furan-2-carboxylate

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

2712-3527

Molecular Formula

C14H11NO6 (C14 H11 NO6)

Compound Name

2-methoxy-4-[(1E)-2-nitroethenyl]phenyl furan-2-carboxylate

IUPAC name

2-methoxy-4-[(1E)-2-nitroethenyl]phenyl furan-2-carboxylate

SMILES

COc(cc(/C=C/[N+]([O-])=O)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C14H11NO6/c1-19-13-9-10(6-7-15(17)18)4-5-11(13)21-14(16)12-3-2-8-20-12/h2-9H,1H3

InChI Key

HREDFFFSEFDPHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01846994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.24

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-3.06

Polar Surface Area

74.171

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2712-3527 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2712-3527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-3527?
Check Price and Availability of 2712-3527, 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 2712-3527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-3527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-3527
  • 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 2712-3527 available by request