G702-0679 Screening compound: 8-[3,4-dihydro-2(1H)-isoquinolinyl]-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine

G702-0679 Screening compound: 8-[3,4-dihydro-2(1H)-isoquinolinyl]-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine
G702-0679 Screening compound: 8-[3,4-dihydro-2(1H)-isoquinolinyl]-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G702-0679
8-[3,4-dihydro-2(1H)-isoquinolinyl]-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine

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

G702-0679

Molecular Formula

C17H17N5 (C17 H17 N5)

Compound Name

8-[3,4-dihydro-2(1H)-isoquinolinyl]-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

2-(1234-tetrahydroisoquinolin-2-yl)-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraene

SMILES

C1Cc2nc3ncnn3c(N(CC3)Cc4c3cccc4)c2C1

InChI

InChI=1S/C17H17N5/c1-2-5-13-10-21(9-8-12(13)4-1)16-14-6-3-7-15(14)20-17-18-11-19-22(16)17/h1-2,4-5,11H,3,6-10H2

InChI Key

YEECLIXYCMOOOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-2.61

Polar Surface Area

39.658

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G702-0679 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G702-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G702-0679?
Check Price and Availability of G702-0679, 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 G702-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G702-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G702-0679
  • 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 G702-0679 available by request