C301-8378 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,6,7-trimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxamide

C301-8378 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,6,7-trimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxamide
C301-8378 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,6,7-trimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8378
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,6,7-trimethyl-3-oxo-3,4-dihydroquinoxaline-2-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

C301-8378

Molecular Formula

C20H19N3O4 (C20 H19 N3 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,6,7-trimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-467-trimethyl-3-oxo-34-dihydroquinoxaline-2-carboxamide

SMILES

Cc(c(C)c1)cc(N2C)c1N=C(C(NCc(cc1)cc3c1OCO3)=O)C2=O

InChI

InChI=1S/C20H19N3O4/c1-11-6-14-15(7-12(11)2)23(3)20(25)18(22-14)19(24)21-9-13-4-5-16-17(8-13)27-10-26-16/h4-8H,9-10H2,1-3H3,(H,21,24)

InChI Key

YTBLGNYLWZCKHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.502

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-2.84

Polar Surface Area

65.016

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-8378 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-8378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8378?
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What is the minimum amount of C301-8378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8378
  • 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 C301-8378 available by request