0663-0157 Screening compound: (2E)-3-[5-(3-CHLOROPHENYL)FURAN-2-YL]-2-CYANO-N-(4-PHENOXYPHENYL)PROP-2-ENAMIDE

0663-0157 Screening compound: (2E)-3-[5-(3-CHLOROPHENYL)FURAN-2-YL]-2-CYANO-N-(4-PHENOXYPHENYL)PROP-2-ENAMIDE
0663-0157 Screening compound: (2E)-3-[5-(3-CHLOROPHENYL)FURAN-2-YL]-2-CYANO-N-(4-PHENOXYPHENYL)PROP-2-ENAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0663-0157
(2E)-3-[5-(3-CHLOROPHENYL)FURAN-2-YL]-2-CYANO-N-(4-PHENOXYPHENYL)PROP-2-ENAMIDE

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

0663-0157

Molecular Formula

C26H17ClN2O3 (C26 H17 ClN2 O3)

Compound Name

(2E)-3-[5-(3-CHLOROPHENYL)FURAN-2-YL]-2-CYANO-N-(4-PHENOXYPHENYL)PROP-2-ENAMIDE

IUPAC name

n/a

SMILES

N#C/C(/C(Nc(cc1)ccc1Oc1ccccc1)=O)=C\c1ccc(-c2cccc(Cl)c2)o1

InChI

InChI=1S/C26H17ClN2O3/c27-20-6-4-5-18(15-20)25-14-13-24(32-25)16-19(17-28)26(30)29-21-9-11-23(12-10-21)31-22-7-2-1-3-8-22/h1-16H,(H,29,30)

InChI Key

BNQRVNARCLQJPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.995

Distribution Coefficient, logD

6.993

Water Solubility, LogSw

-6.62

Polar Surface Area

54.703

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0663-0157 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0663-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0663-0157?
Check Price and Availability of 0663-0157, 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 0663-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0663-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0663-0157
  • 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 0663-0157 available by request