C301-8453 Screening compound: N-(4-bromophenyl)-6,7-dimethyl-3-(morpholin-4-yl)quinoxaline-2-carboxamide

C301-8453 Screening compound: N-(4-bromophenyl)-6,7-dimethyl-3-(morpholin-4-yl)quinoxaline-2-carboxamide
C301-8453 Screening compound: N-(4-bromophenyl)-6,7-dimethyl-3-(morpholin-4-yl)quinoxaline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8453
N-(4-bromophenyl)-6,7-dimethyl-3-(morpholin-4-yl)quinoxaline-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

C301-8453

Molecular Formula

C21H21BrN4O2 (C21 H21 BrN4 O2)

Compound Name

N-(4-bromophenyl)-6,7-dimethyl-3-(morpholin-4-yl)quinoxaline-2-carboxamide

IUPAC name

N-(4-bromophenyl)-67-dimethyl-3-(morpholin-4-yl)quinoxaline-2-carboxamide

SMILES

Cc(cc1nc2C(Nc(cc3)ccc3Br)=O)c(C)cc1nc2N1CCOCC1

InChI

InChI=1S/C21H21BrN4O2/c1-13-11-17-18(12-14(13)2)25-20(26-7-9-28-10-8-26)19(24-17)21(27)23-16-5-3-15(22)4-6-16/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)

InChI Key

IGSYTCQDYZNGOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.303

Distribution Coefficient, logD

5.282

Water Solubility, LogSw

-5.27

Polar Surface Area

52.327

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C301-8453 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-8453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8453?
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What is the minimum amount of C301-8453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8453
  • 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 C301-8453 available by request