G003-0705 Screening compound: 2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-cyclopentylacetamide

G003-0705 Screening compound: 2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-cyclopentylacetamide
G003-0705 Screening compound: 2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G003-0705
2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-cyclopentylacetamide

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

G003-0705

Molecular Formula

C24H26N4OS (C24 H26 N4 OS)

Compound Name

2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-cyclopentylacetamide

IUPAC name

2-{[56-bis(4-methylphenyl)-124-triazin-3-yl]sulfanyl}-N-cyclopentylacetamide

SMILES

Cc(cc1)ccc1-c1nc(SCC(NC2CCCC2)=O)nnc1-c1ccc(C)cc1

InChI

InChI=1S/C24H26N4OS/c1-16-7-11-18(12-8-16)22-23(19-13-9-17(2)10-14-19)27-28-24(26-22)30-15-21(29)25-20-5-3-4-6-20/h7-14,20H,3-6,15H2,1-2H3,(H,25,29)

InChI Key

BUHHMVODKSDROV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05340737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

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

4.920

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-4.56

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

33.30

G003-0705 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 G003-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G003-0705?
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What is the minimum amount of G003-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G003-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G003-0705
  • 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 G003-0705 available by request