7853-0031 Screening compound: 3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

7853-0031 Screening compound: 3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
7853-0031 Screening compound: 3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7853-0031
3-(4-chlorophenyl)-1-(thiophene-2-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

7853-0031

Molecular Formula

C15H10ClF3N2O2S (C15 H10 ClF3 N2 O2 S)

Compound Name

3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(C(F)(F)F)N(C(c2cccs2)=O)N=C1c(cc1)ccc1Cl

InChI

InChI=1S/C15H10ClF3N2O2S/c16-10-5-3-9(4-6-10)11-8-14(23,15(17,18)19)21(20-11)13(22)12-2-1-7-24-12/h1-7,23H,8H2/t14-/m0/s1

InChI Key

WJFUZIUWDZHJLU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07394378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-4.47

Polar Surface Area

44.536

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

7853-0031 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7853-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7853-0031?
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What is the minimum amount of 7853-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7853-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7853-0031
  • 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 7853-0031 available by request