5408-2092 Screening compound: 2-(4-chlorophenyl)-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine

5408-2092 Screening compound: 2-(4-chlorophenyl)-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
5408-2092 Screening compound: 2-(4-chlorophenyl)-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-2092
2-(4-chlorophenyl)-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[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

5408-2092

Molecular Formula

C16H11ClF3N3 (C16 H11 ClF3 N3)

Compound Name

2-(4-chlorophenyl)-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine

IUPAC name

11-(4-chlorophenyl)-2-(trifluoromethyl)-1812-triazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraene

SMILES

FC(c1c(CCC2)c2nc2cc(-c(cc3)ccc3Cl)nn12)(F)F

InChI

InChI=1S/C16H11ClF3N3/c17-10-6-4-9(5-7-10)13-8-14-21-12-3-1-2-11(12)15(16(18,19)20)23(14)22-13/h4-8H,1-3H2

InChI Key

OZKZAIMPCUAOHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03068151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.73

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.998

Distribution Coefficient, logD

4.998

Water Solubility, LogSw

-5.37

Polar Surface Area

24.349

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5408-2092 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5408-2092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-2092?
Check Price and Availability of 5408-2092, 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 5408-2092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-2092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-2092
  • 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 5408-2092 available by request