R052-0772 Screening compound: 7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxylic acid

R052-0772 Screening compound: 7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxylic acid
R052-0772 Screening compound: 7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-0772
7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxylic acid

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

R052-0772

Molecular Formula

C16H10F3N3O2 (C16 H10 F3 N3 O2)

Compound Name

7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxylic acid

IUPAC name

11-(trifluoromethyl)-121317-triazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)246101315-heptaene-14-carboxylic acid

SMILES

OC(c1nn2c(C(F)(F)F)c(CCc3c-4cccc3)c4nc2c1)=O

InChI

InChI=1S/C16H10F3N3O2/c17-16(18,19)14-10-6-5-8-3-1-2-4-9(8)13(10)20-12-7-11(15(23)24)21-22(12)14/h1-4,7H,5-6H2,(H,23,24)

InChI Key

DCKWLYGFBWFABD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01527951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

0.183

Water Solubility, LogSw

-3.46

Polar Surface Area

51.588

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

R052-0772 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R052-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-0772?
Check Price and Availability of R052-0772, 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 R052-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-0772
  • 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 R052-0772 available by request