8016-8513 Screening compound: 4-bromo-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

8016-8513 Screening compound: 4-bromo-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
8016-8513 Screening compound: 4-bromo-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8513
4-bromo-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

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

8016-8513

Molecular Formula

C10H6BrF3N2O (C10 H6 BrF3 N2 O)

Compound Name

4-bromo-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

IUPAC name

4-bromo-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

SMILES

FC(Oc(cc1)ccc1-n1ncc(Br)c1)(F)F

InChI

InChI=1S/C10H6BrF3N2O/c11-7-5-15-16(6-7)8-1-3-9(4-2-8)17-10(12,13)14/h1-6H

InChI Key

APKJRGMRUBXUAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.07

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.044

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-4.31

Polar Surface Area

20.533

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8016-8513 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-8513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8513?
Check Price and Availability of 8016-8513, 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 8016-8513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8513
  • 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 8016-8513 available by request