G702-0784 Screening compound: 8-{4-[3-(trifluoromethyl)phenyl]piperazino}-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine

G702-0784 Screening compound: 8-{4-[3-(trifluoromethyl)phenyl]piperazino}-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine
G702-0784 Screening compound: 8-{4-[3-(trifluoromethyl)phenyl]piperazino}-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G702-0784
8-{4-[3-(trifluoromethyl)phenyl]piperazino}-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

G702-0784

Molecular Formula

C19H19F3N6 (C19 H19 F3 N6)

Compound Name

8-{4-[3-(trifluoromethyl)phenyl]piperazino}-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraene

SMILES

FC(c1cc(N(CC2)CCN2c2c(CCC3)c3nc3ncnn23)ccc1)(F)F

InChI

InChI=1S/C19H19F3N6/c20-19(21,22)13-3-1-4-14(11-13)26-7-9-27(10-8-26)17-15-5-2-6-16(15)25-18-23-12-24-28(17)18/h1,3-4,11-12H,2,5-10H2

InChI Key

DPKGAJLLJDGXNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.57

Polar Surface Area

43.256

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

G702-0784 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G702-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G702-0784?
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What is the minimum amount of G702-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G702-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G702-0784
  • 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 G702-0784 available by request