3232-1740 Screening compound: 2-methoxy-4-[(1E)-2-nitroethenyl]phenyl thiophene-2-carboxylate

3232-1740 Screening compound: 2-methoxy-4-[(1E)-2-nitroethenyl]phenyl thiophene-2-carboxylate
3232-1740 Screening compound: 2-methoxy-4-[(1E)-2-nitroethenyl]phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-1740
2-methoxy-4-[(1E)-2-nitroethenyl]phenyl thiophene-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

3232-1740

Molecular Formula

C14H11NO5S (C14 H11 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C/[N+]([O-])=O)cc1)c1OC(c1cccs1)=O

InChI

InChI=1S/C14H11NO5S/c1-19-12-9-10(6-7-15(17)18)4-5-11(12)20-14(16)13-3-2-8-21-13/h2-9H,1H3

InChI Key

DOJVXUGYSIXPON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01530563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.86

Polar Surface Area

66.611

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

3232-1740 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3232-1740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-1740?
Check Price and Availability of 3232-1740, 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 3232-1740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-1740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-1740
  • 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 3232-1740 available by request