5859-0104 Screening compound: 2-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxo-N-(2-phenylethyl)acetamide

5859-0104 Screening compound: 2-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
5859-0104 Screening compound: 2-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxo-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5859-0104
2-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxo-N-(2-phenylethyl)acetamide

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

5859-0104

Molecular Formula

C19H24F3N3O3 (C19 H24 F3 N3 O3)

Compound Name

2-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxo-N-(2-phenylethyl)acetamide

IUPAC name

2-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxo-N-(2-phenylethyl)acetamide

SMILES

CC(C)CCC(CC1(C(F)(F)F)O)=NN1C(C(NCCc1ccccc1)=O)=O

InChI

InChI=1S/C19H24F3N3O3/c1-13(2)8-9-15-12-18(28,19(20,21)22)25(24-15)17(27)16(26)23-11-10-14-6-4-3-5-7-14/h3-7,13,28H,8-12H2,1-2H3,(H,23,26)/t18-/m0/s1

InChI Key

JUTXDCHXIYMVBP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14710868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.37

Polar Surface Area

68.220

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

5859-0104 in Drug Discovery

Included in Screening Libraries

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

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 5859-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5859-0104?
Check Price and Availability of 5859-0104, 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 5859-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5859-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5859-0104
  • 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 5859-0104 available by request