8020-1283 Screening compound: (3E)-1-cyclohexyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile

8020-1283 Screening compound: (3E)-1-cyclohexyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile
8020-1283 Screening compound: (3E)-1-cyclohexyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1283
(3E)-1-cyclohexyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile

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

8020-1283

Molecular Formula

C25H22N4O3 (C25 H22 N4 O3)

Compound Name

(3E)-1-cyclohexyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile

IUPAC name

(3E)-1-cyclohexyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1234-tetrahydroquinoxaline-67-dicarbonitrile

SMILES

COc(cc1)ccc1C(/C=C1/Nc(cc(c(C#N)c2)C#N)c2N(C2CCCCC2)C1=O)=O

InChI

InChI=1S/C25H22N4O3/c1-32-20-9-7-16(8-10-20)24(30)13-22-25(31)29(19-5-3-2-4-6-19)23-12-18(15-27)17(14-26)11-21(23)28-22/h7-13,19,28H,2-6H2,1H3

InChI Key

FTNKUPOJGYPJTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

2.496

Water Solubility, LogSw

-4.33

Polar Surface Area

80.454

Acid Dissociation Constant (pKa)

5.47

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

8020-1283 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 8020-1283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1283?
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What is the minimum amount of 8020-1283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1283
  • 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 8020-1283 available by request