G003-0105 Screening compound: N-cyclopentyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

G003-0105 Screening compound: N-cyclopentyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
G003-0105 Screening compound: N-cyclopentyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G003-0105
N-cyclopentyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]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

G003-0105

Molecular Formula

C22H22N4OS (C22 H22 N4 OS)

Compound Name

N-cyclopentyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

IUPAC name

N-cyclopentyl-2-[(56-diphenyl-124-triazin-3-yl)sulfanyl]acetamide

SMILES

O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC1CCCC1

InChI

InChI=1S/C22H22N4OS/c27-19(23-18-13-7-8-14-18)15-28-22-24-20(16-9-3-1-4-10-16)21(25-26-22)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,23,27)

InChI Key

GHSAPQNYPSAPCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05249307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-3.99

Polar Surface Area

55.948

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G003-0105 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G003-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G003-0105?
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What is the minimum amount of G003-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G003-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G003-0105
  • 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 G003-0105 available by request