2712-4671 Screening compound: 4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate

2712-4671 Screening compound: 4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate
2712-4671 Screening compound: 4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4671
4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl 2-oxo-2H-chromene-3-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

2712-4671

Molecular Formula

C26H16ClNO5 (C26 H16 ClNO5)

Compound Name

4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate

IUPAC name

4-[(1Z)-2-(4-chlorophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate

SMILES

COc(cc(/C=C(/c(cc1)ccc1Cl)\C#N)cc1)c1OC(C1=Cc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C26H16ClNO5/c1-31-24-13-16(12-19(15-28)17-7-9-20(27)10-8-17)6-11-23(24)33-26(30)21-14-18-4-2-3-5-22(18)32-25(21)29/h2-14H,1H3

InChI Key

DHVDFWCWCWIGJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.449

Distribution Coefficient, logD

5.449

Water Solubility, LogSw

-6.25

Polar Surface Area

66.040

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

2712-4671 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2712-4671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4671?
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What is the minimum amount of 2712-4671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4671
  • 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 2712-4671 available by request