C301-6880 Screening compound: N-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-3,4,5-triethoxybenzamide

C301-6880 Screening compound: N-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-3,4,5-triethoxybenzamide
C301-6880 Screening compound: N-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6880
N-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-3,4,5-triethoxybenzamide

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

C301-6880

Molecular Formula

C23H27N3O6 (C23 H27 N3 O6)

Compound Name

N-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-3,4,5-triethoxybenzamide

IUPAC name

N-(14-dimethyl-23-dioxo-1234-tetrahydroquinoxalin-6-yl)-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc(cc2)cc(N(C)C3=O)c2N(C)C3=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H27N3O6/c1-6-30-18-11-14(12-19(31-7-2)20(18)32-8-3)21(27)24-15-9-10-16-17(13-15)26(5)23(29)22(28)25(16)4/h9-13H,6-8H2,1-5H3,(H,24,27)

InChI Key

BXOOCWYXJXNJCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.002

Distribution Coefficient, logD

2.002

Water Solubility, LogSw

-2.82

Polar Surface Area

75.406

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C301-6880 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C301-6880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6880?
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What is the minimum amount of C301-6880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6880
  • 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 C301-6880 available by request