8020-2223 Screening compound: 2-cyano-4-{[(E)-2-cyano-2-(4-fluorophenyl)-1-ethenyl]amino}-5-(cyclohexylamino)phenyl cyanide

8020-2223 Screening compound: 2-cyano-4-{[(E)-2-cyano-2-(4-fluorophenyl)-1-ethenyl]amino}-5-(cyclohexylamino)phenyl cyanide
8020-2223 Screening compound: 2-cyano-4-{[(E)-2-cyano-2-(4-fluorophenyl)-1-ethenyl]amino}-5-(cyclohexylamino)phenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2223
2-cyano-4-{[(E)-2-cyano-2-(4-fluorophenyl)-1-ethenyl]amino}-5-(cyclohexylamino)phenyl cyanide

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

8020-2223

Molecular Formula

C23H20FN5 (C23 H20 FN5)

Compound Name

2-cyano-4-{[(E)-2-cyano-2-(4-fluorophenyl)-1-ethenyl]amino}-5-(cyclohexylamino)phenyl cyanide

IUPAC name

4-{[(1E)-2-cyano-2-(4-fluorophenyl)eth-1-en-1-yl]amino}-5-(cyclohexylamino)benzene-12-dicarbonitrile

SMILES

N#C/C(/c(cc1)ccc1F)=C/Nc(cc(c(C#N)c1)C#N)c1NC1CCCCC1

InChI

InChI=1S/C23H20FN5/c24-20-8-6-16(7-9-20)19(14-27)15-28-22-10-17(12-25)18(13-26)11-23(22)29-21-4-2-1-3-5-21/h6-11,15,21,28-29H,1-5H2

InChI Key

ARMFFPQZUWTWEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18075351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.96

Polar Surface Area

71.301

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

8020-2223 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-2223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2223?
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What is the minimum amount of 8020-2223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2223
  • 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 8020-2223 available by request