C301-4332 Screening compound: N-(2-phenylethyl)-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide

C301-4332 Screening compound: N-(2-phenylethyl)-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide
C301-4332 Screening compound: N-(2-phenylethyl)-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4332
N-(2-phenylethyl)-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide

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

C301-4332

Molecular Formula

C19H17N5OS (C19 H17 N5 OS)

Compound Name

N-(2-phenylethyl)-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide

IUPAC name

N-(2-phenylethyl)-2-{[124]triazolo[43-a]quinoxalin-4-ylsulfanyl}acetamide

SMILES

O=C(CSc1nc(cccc2)c2n2c1nnc2)NCCc1ccccc1

InChI

InChI=1S/C19H17N5OS/c25-17(20-11-10-14-6-2-1-3-7-14)12-26-19-18-23-21-13-24(18)16-9-5-4-8-15(16)22-19/h1-9,13H,10-12H2,(H,20,25)

InChI Key

QYDJAIRZYCRECX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.49

Polar Surface Area

54.699

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C301-4332 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C301-4332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4332?
Check Price and Availability of C301-4332, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C301-4332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4332
  • 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 C301-4332 available by request