8019-7891 Screening compound: 4-bromo-2-[3-(trifluoromethyl)-5-isoxazolyl]phenol

8019-7891 Screening compound: 4-bromo-2-[3-(trifluoromethyl)-5-isoxazolyl]phenol
8019-7891 Screening compound: 4-bromo-2-[3-(trifluoromethyl)-5-isoxazolyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7891
4-bromo-2-[3-(trifluoromethyl)-5-isoxazolyl]phenol

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

8019-7891

Molecular Formula

C10H5BrF3NO2 (C10 H5 BrF3 NO2)

Compound Name

4-bromo-2-[3-(trifluoromethyl)-5-isoxazolyl]phenol

IUPAC name

4-bromo-2-[3-(trifluoromethyl)-12-oxazol-5-yl]phenol

SMILES

Oc(ccc(Br)c1)c1-c1cc(C(F)(F)F)no1

InChI

InChI=1S/C10H5BrF3NO2/c11-5-1-2-7(16)6(3-5)8-4-9(15-17-8)10(12,13)14/h1-4,16H

InChI Key

UBQSQNJMXJWLIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09261462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.05

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.501

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.08

Polar Surface Area

38.322

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

-7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8019-7891 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8019-7891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7891?
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What is the minimum amount of 8019-7891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7891
  • 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 8019-7891 available by request