C301-8513 Screening compound: N-(4-bromo-2-fluorophenyl)-4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carboxamide

C301-8513 Screening compound: N-(4-bromo-2-fluorophenyl)-4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carboxamide
C301-8513 Screening compound: N-(4-bromo-2-fluorophenyl)-4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8513
N-(4-bromo-2-fluorophenyl)-4-methyl-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

C301-8513

Molecular Formula

C16H11BrFN3O2 (C16 H11 BrFN3 O2)

Compound Name

N-(4-bromo-2-fluorophenyl)-4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carboxamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-4-methyl-3-oxo-34-dihydroquinoxaline-2-carboxamide

SMILES

CN(c(cccc1)c1N=C1C(Nc(ccc(Br)c2)c2F)=O)C1=O

InChI

InChI=1S/C16H11BrFN3O2/c1-21-13-5-3-2-4-12(13)19-14(16(21)23)15(22)20-11-7-6-9(17)8-10(11)18/h2-8H,1H3,(H,20,22)

InChI Key

YMKXQQVFXCOQIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.803

Distribution Coefficient, logD

1.999

Water Solubility, LogSw

-3.49

Polar Surface Area

45.880

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C301-8513 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-8513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8513?
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What is the minimum amount of C301-8513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8513
  • 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 C301-8513 available by request