6466-0981 Screening compound: 2-[5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

6466-0981 Screening compound: 2-[5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
6466-0981 Screening compound: 2-[5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0981
2-[5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-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

6466-0981

Molecular Formula

C21H19F3N4O2 (C21 H19 F3 N4 O2)

Compound Name

2-[5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[(5R7S)-5-(furan-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(c1nn([C@H](C[C@@H](c2ccco2)N2)C(F)(F)F)c2c1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H19F3N4O2/c22-21(23,24)18-10-15(17-6-3-9-30-17)25-19-11-16(26-28(18)19)20(29)27-8-7-13-4-1-2-5-14(13)12-27/h1-6,9,11,15,18,25H,7-8,10,12H2/t15-,18-/m1/s1

InChI Key

UUYYBFAJABHHEB-CRAIPNDOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.809

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-3.99

Polar Surface Area

52.655

Acid Dissociation Constant (pKa)

17.88

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

6466-0981 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6466-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0981?
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What is the minimum amount of 6466-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0981
  • 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 6466-0981 available by request