C301-0711 Screening compound: (3Z)-7-(4-cyclohexylpiperazine-1-carbonyl)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,2,3,4-tetrahydroquinoxalin-2-one

C301-0711 Screening compound: (3Z)-7-(4-cyclohexylpiperazine-1-carbonyl)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,2,3,4-tetrahydroquinoxalin-2-one
C301-0711 Screening compound: (3Z)-7-(4-cyclohexylpiperazine-1-carbonyl)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0711
(3Z)-7-(4-cyclohexylpiperazine-1-carbonyl)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,2,3,4-tetrahydroquinoxalin-2-one

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

C301-0711

Molecular Formula

C28H32N4O4 (C28 H32 N4 O4)

Compound Name

(3Z)-7-(4-cyclohexylpiperazine-1-carbonyl)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

(3Z)-7-(4-cyclohexylpiperazine-1-carbonyl)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1234-tetrahydroquinoxalin-2-one

SMILES

COc(cc1)ccc1C(/C=C1\Nc(ccc(C(N(CC2)CCN2C2CCCCC2)=O)c2)c2NC1=O)=O

InChI

InChI=1S/C28H32N4O4/c1-36-22-10-7-19(8-11-22)26(33)18-25-27(34)30-24-17-20(9-12-23(24)29-25)28(35)32-15-13-31(14-16-32)21-5-3-2-4-6-21/h7-12,17-18,21,29H,2-6,13-16H2,1H3,(H,30,34)

InChI Key

XMEDJEPQHWISDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-3.68

Polar Surface Area

76.636

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

C301-0711 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0711?
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What is the minimum amount of C301-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0711
  • 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 C301-0711 available by request