8006-5548 Screening compound: (4-chlorophenyl)[5-hydroxy-5-(4-pyridyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone

8006-5548 Screening compound: (4-chlorophenyl)[5-hydroxy-5-(4-pyridyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
8006-5548 Screening compound: (4-chlorophenyl)[5-hydroxy-5-(4-pyridyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5548
(4-chlorophenyl)[5-hydroxy-5-(4-pyridyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone

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

8006-5548

Molecular Formula

C16H11ClF3N3O2 (C16 H11 ClF3 N3 O2)

Compound Name

(4-chlorophenyl)[5-hydroxy-5-(4-pyridyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone

IUPAC name

1-(4-chlorobenzoyl)-5-(pyridin-4-yl)-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(c2ccncc2)N(C(c(cc2)ccc2Cl)=O)N=C1C(F)(F)F

InChI

InChI=1S/C16H11ClF3N3O2/c17-12-3-1-10(2-4-12)14(24)23-15(25,11-5-7-21-8-6-11)9-13(22-23)16(18,19)20/h1-8,25H,9H2/t15-/m0/s1

InChI Key

JZPKGXPGZHMDLF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00782057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.73

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

2.796

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.32

Polar Surface Area

52.946

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

8006-5548 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-5548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5548?
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What is the minimum amount of 8006-5548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5548
  • 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 8006-5548 available by request