5438-0004 Screening compound: 1-(3-methoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

5438-0004 Screening compound: 1-(3-methoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
5438-0004 Screening compound: 1-(3-methoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5438-0004
1-(3-methoxybenzoyl)-3-(propan-2-yl)-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

5438-0004

Molecular Formula

C15H17F3N2O3 (C15 H17 F3 N2 O3)

Compound Name

1-(3-methoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(3-methoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(C)C(CC1(C(F)(F)F)O)=NN1C(c1cc(OC)ccc1)=O

InChI

InChI=1S/C15H17F3N2O3/c1-9(2)12-8-14(22,15(16,17)18)20(19-12)13(21)10-5-4-6-11(7-10)23-3/h4-7,9,22H,8H2,1-3H3/t14-/m0/s1

InChI Key

ZMSHERGDKZQTAK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03724694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.28

Polar Surface Area

51.333

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with 5438-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5438-0004?
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What is the minimum amount of 5438-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5438-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5438-0004
  • 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 5438-0004 available by request