3852-0611 Screening compound: 1-benzoyl-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

3852-0611 Screening compound: 1-benzoyl-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
3852-0611 Screening compound: 1-benzoyl-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3852-0611
1-benzoyl-3-(3-methoxyphenyl)-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

3852-0611

Molecular Formula

C18H15F3N2O3 (C18 H15 F3 N2 O3)

Compound Name

1-benzoyl-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-benzoyl-3-(3-methoxyphenyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

COc1cccc(C(CC2(C(F)(F)F)O)=NN2C(c2ccccc2)=O)c1

InChI

InChI=1S/C18H15F3N2O3/c1-26-14-9-5-8-13(10-14)15-11-17(25,18(19,20)21)23(22-15)16(24)12-6-3-2-4-7-12/h2-10,25H,11H2,1H3/t17-/m0/s1

InChI Key

ZTXONOJXMVSSIS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01831644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.32

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

3.382

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.81

Polar Surface Area

51.062

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

3852-0611 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3852-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3852-0611?
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What is the minimum amount of 3852-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3852-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3852-0611
  • 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 3852-0611 available by request