8009-1422 Screening compound: 1-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroquinoline

8009-1422 Screening compound: 1-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroquinoline
8009-1422 Screening compound: 1-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1422
1-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroquinoline

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

8009-1422

Molecular Formula

C21H14BrF3N4O2 (C21 H14 BrF3 N4 O2)

Compound Name

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

IUPAC name

1-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]-1234-tetrahydroquinoline

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br)N(CCC1)c2c1cccc2

InChI

InChI=1S/C21H14BrF3N4O2/c22-17-18(20(30)28-9-3-6-12-5-1-2-7-14(12)28)27-29-16(21(23,24)25)11-13(26-19(17)29)15-8-4-10-31-15/h1-2,4-5,7-8,10-11H,3,6,9H2

InChI Key

LWQLDLBVTYCLQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.27

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

4.977

Distribution Coefficient, logD

4.977

Water Solubility, LogSw

-4.88

Polar Surface Area

43.606

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8009-1422 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-1422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1422?
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What is the minimum amount of 8009-1422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1422
  • 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 8009-1422 available by request