6049-1201 Screening compound: 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

6049-1201 Screening compound: 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
6049-1201 Screening compound: 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1201
2-[5-(furan-2-yl)-7-(trifluoromethyl)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

6049-1201

Molecular Formula

C21H15F3N4O2 (C21 H15 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H15F3N4O2/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/h1-6,9-11H,7-8,12H2

InChI Key

VUEGCYLRSGBWDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01450681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.044

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-4.23

Polar Surface Area

43.286

Acid Dissociation Constant (pKa)

25.18

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

6049-1201 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6049-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1201?
Check Price and Availability of 6049-1201, 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 6049-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1201
  • 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 6049-1201 available by request