4152-0190 Screening compound: 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-5-isoxazolol

4152-0190 Screening compound: 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-5-isoxazolol
4152-0190 Screening compound: 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-5-isoxazolol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4152-0190
5-(difluoromethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-5-isoxazolol

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

4152-0190

Molecular Formula

C10H9F2NO3 (C10 H9 F2 NO3)

Compound Name

5-(difluoromethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-5-isoxazolol

IUPAC name

5-(difluoromethyl)-3-(2-hydroxyphenyl)-45-dihydro-12-oxazol-5-ol

SMILES

OC(C1)(C(F)F)ON=C1c(cccc1)c1O

InChI

InChI=1S/C10H9F2NO3/c11-9(12)10(15)5-7(13-16-10)6-3-1-2-4-8(6)14/h1-4,9,14-15H,5H2/t10-/m0/s1

InChI Key

ZZOQCZPOSYUYQZ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00761955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.755

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.35

Polar Surface Area

55.486

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

4152-0190 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4152-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4152-0190?
Check Price and Availability of 4152-0190, 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 4152-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4152-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4152-0190
  • 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 4152-0190 available by request