5859-0203 Screening compound: 1-(3-fluorobenzoyl)-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

5859-0203 Screening compound: 1-(3-fluorobenzoyl)-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
5859-0203 Screening compound: 1-(3-fluorobenzoyl)-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5859-0203
1-(3-fluorobenzoyl)-3-(3-methylbutyl)-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

5859-0203

Molecular Formula

C16H18F4N2O2 (C16 H18 F4 N2 O2)

Compound Name

1-(3-fluorobenzoyl)-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(3-fluorobenzoyl)-3-(3-methylbutyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(C)CCC(CC1(C(F)(F)F)O)=NN1C(c1cccc(F)c1)=O

InChI

InChI=1S/C16H18F4N2O2/c1-10(2)6-7-13-9-15(24,16(18,19)20)22(21-13)14(23)11-4-3-5-12(17)8-11/h3-5,8,10,24H,6-7,9H2,1-2H3/t15-/m0/s1

InChI Key

WCWAPTUCSUJMLU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14710875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-3.97

Polar Surface Area

43.693

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

5859-0203 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5859-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5859-0203?
Check Price and Availability of 5859-0203, 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 5859-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5859-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5859-0203
  • 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 5859-0203 available by request