G702-8596 Screening compound: N-[2-(4-methylbenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(4-morpholinophenyl)amine

G702-8596 Screening compound: N-[2-(4-methylbenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(4-morpholinophenyl)amine
G702-8596 Screening compound: N-[2-(4-methylbenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(4-morpholinophenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G702-8596
N-[2-(4-methylbenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(4-morpholinophenyl)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

G702-8596

Molecular Formula

C26H28N6O (C26 H28 N6 O)

Compound Name

N-[2-(4-methylbenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(4-morpholinophenyl)amine

IUPAC name

11-[(4-methylphenyl)methyl]-N-[4-(morpholin-4-yl)phenyl]-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraen-2-amine

SMILES

Cc1ccc(Cc2nn3c(Nc(cc4)ccc4N4CCOCC4)c(CCC4)c4nc3n2)cc1

InChI

InChI=1S/C26H28N6O/c1-18-5-7-19(8-6-18)17-24-29-26-28-23-4-2-3-22(23)25(32(26)30-24)27-20-9-11-21(12-10-20)31-13-15-33-16-14-31/h5-12,27H,2-4,13-17H2,1H3

InChI Key

RSZIJWNJRKMBCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27152300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.398

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.23

Polar Surface Area

54.610

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

G702-8596 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G702-8596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G702-8596?
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What is the minimum amount of G702-8596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G702-8596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G702-8596
  • 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 G702-8596 available by request