4351-0012 Screening compound: 3-(2-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4351-0012 Screening compound: 3-(2-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4351-0012 Screening compound: 3-(2-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4351-0012
3-(2-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

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

4351-0012

Molecular Formula

C10H9F3N2O2 (C10 H9 F3 N2 O2)

Compound Name

3-(2-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

3-(2-hydroxyphenyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

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

InChI

InChI=1S/C10H9F3N2O2/c11-10(12,13)9(17)5-7(14-15-9)6-3-1-2-4-8(6)16/h1-4,15-17H,5H2/t9-/m0/s1

InChI Key

XBIXRQKLDQLKKB-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02995449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

2.523

Water Solubility, LogSw

-2.60

Polar Surface Area

57.616

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

4351-0012 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4351-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4351-0012?
Check Price and Availability of 4351-0012, 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 4351-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4351-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4351-0012
  • 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 4351-0012 available by request