7706-0599 Screening compound: 6-bromo-4-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]quinoline

7706-0599 Screening compound: 6-bromo-4-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]quinoline
7706-0599 Screening compound: 6-bromo-4-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0599
6-bromo-4-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]quinoline

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

7706-0599

Molecular Formula

C17H9BrF3N3 (C17 H9 BrF3 N3)

Compound Name

6-bromo-4-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]quinoline

IUPAC name

6-bromo-4-phenyl-3-(trifluoromethyl)-1H-pyrazolo[34-b]quinoline

SMILES

FC(c1n[nH]c2c1c(-c1ccccc1)c(cc(cc1)Br)c1n2)(F)F

InChI

InChI=1S/C17H9BrF3N3/c18-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14-15(17(19,20)21)23-24-16(14)22-12/h1-8H,(H,22,23,24)

InChI Key

NCFZOVMNUMYKNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10548719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.18

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.494

Distribution Coefficient, logD

5.493

Water Solubility, LogSw

-6.48

Polar Surface Area

32.871

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

7706-0599 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 7706-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0599?
Check Price and Availability of 7706-0599, 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 7706-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0599
  • 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 7706-0599 available by request