4607-1309 Screening compound: 1-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one

4607-1309 Screening compound: 1-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one
4607-1309 Screening compound: 1-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1309
1-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-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

4607-1309

Molecular Formula

C16H19F3N2O3 (C16 H19 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(CC1(C(F)(F)F)O)=NN1C(COc1ccccc1)=O

InChI

InChI=1S/C16H19F3N2O3/c1-11(2)8-12-9-15(23,16(17,18)19)21(20-12)14(22)10-24-13-6-4-3-5-7-13/h3-7,11,23H,8-10H2,1-2H3/t15-/m0/s1

InChI Key

VHTISJNQXFZBLM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02912099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.21

Polar Surface Area

50.665

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 4607-1309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1309?
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What is the minimum amount of 4607-1309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1309
  • 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 4607-1309 available by request