5859-0214 Screening compound: 1-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenylethan-1-one

5859-0214 Screening compound: 1-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenylethan-1-one
5859-0214 Screening compound: 1-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5859-0214
1-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-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

5859-0214

Molecular Formula

C17H21F3N2O2 (C17 H21 F3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCC(CC1(C(F)(F)F)O)=NN1C(Cc1ccccc1)=O

InChI

InChI=1S/C17H21F3N2O2/c1-12(2)8-9-14-11-16(24,17(18,19)20)22(21-14)15(23)10-13-6-4-3-5-7-13/h3-7,12,24H,8-11H2,1-2H3/t16-/m0/s1

InChI Key

WWYSWWPOCBOWRR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14710880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-3.94

Polar Surface Area

43.166

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

5859-0214 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5859-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5859-0214?
Check Price and Availability of 5859-0214, 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 5859-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5859-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5859-0214
  • 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 5859-0214 available by request