C301-6413 Screening compound: N-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-4-propoxybenzamide

C301-6413 Screening compound: N-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-4-propoxybenzamide
C301-6413 Screening compound: N-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6413
N-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-4-propoxybenzamide

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

C301-6413

Molecular Formula

C20H21N3O4 (C20 H21 N3 O4)

Compound Name

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

IUPAC name

N-(14-dimethyl-23-dioxo-1234-tetrahydroquinoxalin-6-yl)-4-propoxybenzamide

SMILES

CCCOc(cc1)ccc1C(Nc(cc1)cc(N(C)C2=O)c1N(C)C2=O)=O

InChI

InChI=1S/C20H21N3O4/c1-4-11-27-15-8-5-13(6-9-15)18(24)21-14-7-10-16-17(12-14)23(3)20(26)19(25)22(16)2/h5-10,12H,4,11H2,1-3H3,(H,21,24)

InChI Key

BOWJOGVHOLOOSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

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

2.222

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-2.95

Polar Surface Area

61.107

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-6413 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-6413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6413?
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What is the minimum amount of C301-6413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6413
  • 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 C301-6413 available by request