C301-4850 Screening compound: 8-benzoyl-1-methyl-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C301-4850 Screening compound: 8-benzoyl-1-methyl-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
C301-4850 Screening compound: 8-benzoyl-1-methyl-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4850
8-benzoyl-1-methyl-N-(1-phenylethyl)-[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

C301-4850

Molecular Formula

C25H21N5O (C25 H21 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(c1ccccc1)Nc1nc(ccc(C(c2ccccc2)=O)c2)c2n2c1nnc2C

InChI

InChI=1S/C25H21N5O/c1-16(18-9-5-3-6-10-18)26-24-25-29-28-17(2)30(25)22-15-20(13-14-21(22)27-24)23(31)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,26,27)/t16-/m0/s1

InChI Key

LWANCFNSUMVISE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09662122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.236

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.31

Polar Surface Area

54.202

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

C301-4850 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-4850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4850?
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What is the minimum amount of C301-4850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4850
  • 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 C301-4850 available by request