1831-7560 Screening compound: methyl (E)-3-(5-bromo-2-thienyl)-2-cyano-2-propenoate

1831-7560 Screening compound: methyl (E)-3-(5-bromo-2-thienyl)-2-cyano-2-propenoate
1831-7560 Screening compound: methyl (E)-3-(5-bromo-2-thienyl)-2-cyano-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1831-7560
methyl (E)-3-(5-bromo-2-thienyl)-2-cyano-2-propenoate

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

1831-7560

Molecular Formula

C9H6BrNO2S (C9 H6 BrNO2 S)

Compound Name

methyl (E)-3-(5-bromo-2-thienyl)-2-cyano-2-propenoate

IUPAC name

methyl (2E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate

SMILES

COC(/C(/C#N)=C/c(s1)ccc1Br)=O

InChI

InChI=1S/C9H6BrNO2S/c1-13-9(12)6(5-11)4-7-2-3-8(10)14-7/h2-4H,1H3

InChI Key

YCCQWPRQOAAVCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01055619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.12

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.23

Polar Surface Area

39.487

Acid Dissociation Constant (pKa)

34.04

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

1831-7560 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1831-7560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1831-7560?
Check Price and Availability of 1831-7560, 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 1831-7560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1831-7560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1831-7560
  • 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 1831-7560 available by request