8009-1050 Screening compound: 5-(4-fluorophenyl)-1-(4-methoxybenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

8009-1050 Screening compound: 5-(4-fluorophenyl)-1-(4-methoxybenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
8009-1050 Screening compound: 5-(4-fluorophenyl)-1-(4-methoxybenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1050
5-(4-fluorophenyl)-1-(4-methoxybenzoyl)-3-(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

8009-1050

Molecular Formula

C18H14F4N2O3 (C18 H14 F4 N2 O3)

Compound Name

5-(4-fluorophenyl)-1-(4-methoxybenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

5-(4-fluorophenyl)-1-(4-methoxybenzoyl)-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

COc(cc1)ccc1C(N(C(C1)(c(cc2)ccc2F)O)N=C1C(F)(F)F)=O

InChI

InChI=1S/C18H14F4N2O3/c1-27-14-8-2-11(3-9-14)16(25)24-17(26,10-15(23-24)18(20,21)22)12-4-6-13(19)7-5-12/h2-9,26H,10H2,1H3/t17-/m0/s1

InChI Key

NZELMURBPZGYNL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01461251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.31

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

3.462

Distribution Coefficient, logD

3.462

Water Solubility, LogSw

-3.45

Polar Surface Area

51.062

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8009-1050 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8009-1050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1050?
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What is the minimum amount of 8009-1050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1050
  • 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 8009-1050 available by request