C301-0738 Screening compound: (2Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-N-[2-(3-methylphenyl)ethyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C301-0738 Screening compound: (2Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-N-[2-(3-methylphenyl)ethyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
C301-0738 Screening compound: (2Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-N-[2-(3-methylphenyl)ethyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0738
(2Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-N-[2-(3-methylphenyl)ethyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

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

C301-0738

Molecular Formula

C32H33N3O3 (C32 H33 N3 O3)

Compound Name

(2Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-N-[2-(3-methylphenyl)ethyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

IUPAC name

(2Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-N-[2-(3-methylphenyl)ethyl]-3-oxo-1234-tetrahydroquinoxaline-6-carboxamide

SMILES

Cc1cccc(CCNC(c(cc2)cc(NC3=O)c2N/C3=C\C(c2ccc(C3CCCCC3)cc2)=O)=O)c1

InChI

InChI=1S/C32H33N3O3/c1-21-6-5-7-22(18-21)16-17-33-31(37)26-14-15-27-28(19-26)35-32(38)29(34-27)20-30(36)25-12-10-24(11-13-25)23-8-3-2-4-9-23/h5-7,10-15,18-20,23,34H,2-4,8-9,16-17H2,1H3,(H,33,37)(H,35,38)

InChI Key

KHMKFUKZMMGNCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.377

Distribution Coefficient, logD

6.240

Water Solubility, LogSw

-5.32

Polar Surface Area

73.526

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

C301-0738 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-0738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0738?
Check Price and Availability of C301-0738, 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 C301-0738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0738
  • 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 C301-0738 available by request