C301-4879 Screening compound: 8-benzoyl-N-(4-fluorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C301-4879 Screening compound: 8-benzoyl-N-(4-fluorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
C301-4879 Screening compound: 8-benzoyl-N-(4-fluorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4879
8-benzoyl-N-(4-fluorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

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

C301-4879

Molecular Formula

C23H16FN5O (C23 H16 FN5 O)

Compound Name

8-benzoyl-N-(4-fluorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

IUPAC name

8-benzoyl-N-(4-fluorophenyl)-1-methyl-[124]triazolo[43-a]quinoxalin-4-amine

SMILES

Cc1nnc2n1c(cc(cc1)C(c3ccccc3)=O)c1nc2Nc(cc1)ccc1F

InChI

InChI=1S/C23H16FN5O/c1-14-27-28-23-22(25-18-10-8-17(24)9-11-18)26-19-12-7-16(13-20(19)29(14)23)21(30)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26)

InChI Key

YKPBIGWTQZEJTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

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

4.212

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.35

Polar Surface Area

53.717

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C301-4879 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-4879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4879?
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What is the minimum amount of C301-4879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4879
  • 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 C301-4879 available by request