G702-6615 Screening compound: N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(1-phenylethyl)amine

G702-6615 Screening compound: N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(1-phenylethyl)amine
G702-6615 Screening compound: N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(1-phenylethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G702-6615
N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(1-phenylethyl)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

G702-6615

Molecular Formula

C23H22ClN5 (C23 H22 ClN5)

Compound Name

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

IUPAC name

11-[(4-chlorophenyl)methyl]-N-(1-phenylethyl)-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraen-2-amine

SMILES

CC(c1ccccc1)Nc1c(CCC2)c2nc2nc(Cc(cc3)ccc3Cl)nn12

InChI

InChI=1S/C23H22ClN5/c1-15(17-6-3-2-4-7-17)25-22-19-8-5-9-20(19)26-23-27-21(28-29(22)23)14-16-10-12-18(24)13-11-16/h2-4,6-7,10-13,15,25H,5,8-9,14H2,1H3/t15-/m0/s1

InChI Key

JFJXRZRJLJSXSR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27152148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.845

Water Solubility, LogSw

-4.93

Polar Surface Area

43.735

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

G702-6615 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G702-6615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G702-6615?
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What is the minimum amount of G702-6615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G702-6615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G702-6615
  • 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 G702-6615 available by request