7621-0287 Screening compound: 1-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one

7621-0287 Screening compound: 1-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one
7621-0287 Screening compound: 1-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7621-0287
1-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one

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

7621-0287

Molecular Formula

C18H14ClF3N2O3 (C18 H14 ClF3 N2 O3)

Compound Name

1-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one

IUPAC name

1-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one

SMILES

OC(C(N(C(C1)(C(F)(F)F)O)N=C1c(cc1)ccc1Cl)=O)c1ccccc1

InChI

InChI=1S/C18H14ClF3N2O3/c19-13-8-6-11(7-9-13)14-10-17(27,18(20,21)22)24(23-14)16(26)15(25)12-4-2-1-3-5-12/h1-9,15,25,27H,10H2

InChI Key

VYNRWUWOERBMLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.58

Polar Surface Area

59.203

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 7621-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7621-0287?
Check Price and Availability of 7621-0287, 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 7621-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7621-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7621-0287
  • 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 7621-0287 available by request