6466-0137 Screening compound: 2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

6466-0137 Screening compound: 2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
6466-0137 Screening compound: 2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0137
2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

6466-0137

Molecular Formula

C24H19F3N4O2 (C24 H19 F3 N4 O2)

Compound Name

2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

COc1cccc(-c(cc(C(F)(F)F)n2nc3)nc2c3C(N(CC2)Cc3c2cccc3)=O)c1

InChI

InChI=1S/C24H19F3N4O2/c1-33-18-8-4-7-16(11-18)20-12-21(24(25,26)27)31-22(29-20)19(13-28-31)23(32)30-10-9-15-5-2-3-6-17(15)14-30/h2-8,11-13H,9-10,14H2,1H3

InChI Key

UHANBQZQNWYWJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02734835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-4.56

Polar Surface Area

43.022

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

6466-0137 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6466-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0137?
Check Price and Availability of 6466-0137, 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 6466-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0137
  • 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 6466-0137 available by request