G702-8447 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methylbenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]amine

G702-8447 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methylbenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]amine
G702-8447 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methylbenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G702-8447
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methylbenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]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

G702-8447

Molecular Formula

C24H23N5O2 (C24 H23 N5 O2)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methylbenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-11-[(4-methylphenyl)methyl]-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraen-2-amine

SMILES

Cc1ccc(Cc2nn3c(NCc(cc4)cc5c4OCO5)c(CCC4)c4nc3n2)cc1

InChI

InChI=1S/C24H23N5O2/c1-15-5-7-16(8-6-15)12-22-27-24-26-19-4-2-3-18(19)23(29(24)28-22)25-13-17-9-10-20-21(11-17)31-14-30-20/h5-11,25H,2-4,12-14H2,1H3

InChI Key

NCSQWZZQOXGUJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27152267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.23

Polar Surface Area

61.687

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G702-8447 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G702-8447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G702-8447?
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What is the minimum amount of G702-8447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G702-8447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G702-8447
  • 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 G702-8447 available by request