2712-4637 Screening compound: 4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate

2712-4637 Screening compound: 4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate
2712-4637 Screening compound: 4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4637
4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl 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

2712-4637

Molecular Formula

C21H14ClNO3S (C21 H14 ClNO3 S)

Compound Name

4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate

IUPAC name

4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate

SMILES

COc(cc(/C=C(/c(cc1)ccc1Cl)\C#N)cc1)c1OC(c1cccs1)=O

InChI

InChI=1S/C21H14ClNO3S/c1-25-19-12-14(11-16(13-23)15-5-7-17(22)8-6-15)4-9-18(19)26-21(24)20-3-2-10-27-20/h2-12H,1H3

InChI Key

AMZQEKHKENVTSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.570

Distribution Coefficient, logD

5.570

Water Solubility, LogSw

-6.25

Polar Surface Area

46.136

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2712-4637 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2712-4637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4637?
Check Price and Availability of 2712-4637, 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 2712-4637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4637
  • 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 2712-4637 available by request