4607-1426 Screening compound: 3-phenyl-1-(pyridine-3-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4607-1426 Screening compound: 3-phenyl-1-(pyridine-3-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4607-1426 Screening compound: 3-phenyl-1-(pyridine-3-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1426
3-phenyl-1-(pyridine-3-carbonyl)-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

4607-1426

Molecular Formula

C16H12F3N3O2 (C16 H12 F3 N3 O2)

Compound Name

3-phenyl-1-(pyridine-3-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

3-phenyl-1-(pyridine-3-carbonyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(C(F)(F)F)N(C(c2cnccc2)=O)N=C1c1ccccc1

InChI

InChI=1S/C16H12F3N3O2/c17-16(18,19)15(24)9-13(11-5-2-1-3-6-11)21-22(15)14(23)12-7-4-8-20-10-12/h1-8,10,24H,9H2/t15-/m0/s1

InChI Key

MNQMTIYJBITVIB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01827598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.053

Distribution Coefficient, logD

2.053

Water Solubility, LogSw

-1.69

Polar Surface Area

53.036

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 4607-1426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1426?
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What is the minimum amount of 4607-1426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1426
  • 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 4607-1426 available by request