3852-0053 Screening compound: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethan-1-one

3852-0053 Screening compound: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethan-1-one
3852-0053 Screening compound: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3852-0053
1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethan-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

3852-0053

Molecular Formula

C17H21F3N2O3 (C17 H21 F3 N2 O3)

Compound Name

1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethan-1-one

IUPAC name

1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethan-1-one

SMILES

CCCCC(CC1(C(F)(F)F)O)=NN1C(COc1c(C)cccc1)=O

InChI

InChI=1S/C17H21F3N2O3/c1-3-4-8-13-10-16(24,17(18,19)20)22(21-13)15(23)11-25-14-9-6-5-7-12(14)2/h5-7,9,24H,3-4,8,10-11H2,1-2H3/t16-/m0/s1

InChI Key

KKHSVEODDKEBHK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01832497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-3.62

Polar Surface Area

50.752

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 3852-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3852-0053?
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What is the minimum amount of 3852-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3852-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3852-0053
  • 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 3852-0053 available by request