4607-1272 Screening compound: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,5-dimethylphenoxy)ethan-1-one

4607-1272 Screening compound: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,5-dimethylphenoxy)ethan-1-one
4607-1272 Screening compound: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,5-dimethylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1272
1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,5-dimethylphenoxy)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

4607-1272

Molecular Formula

C18H23F3N2O3 (C18 H23 F3 N2 O3)

Compound Name

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

IUPAC name

1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-(35-dimethylphenoxy)ethan-1-one

SMILES

CCCCC(CC1(C(F)(F)F)O)=NN1C(COc1cc(C)cc(C)c1)=O

InChI

InChI=1S/C18H23F3N2O3/c1-4-5-6-14-10-17(25,18(19,20)21)23(22-14)16(24)11-26-15-8-12(2)7-13(3)9-15/h7-9,25H,4-6,10-11H2,1-3H3/t17-/m0/s1

InChI Key

AYNDFODPAOWQJC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02912077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.39

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

3.981

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-3.84

Polar Surface Area

50.665

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with 4607-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1272?
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What is the minimum amount of 4607-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1272
  • 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 4607-1272 available by request