7853-0028 Screening compound: 3-phenyl-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

7853-0028 Screening compound: 3-phenyl-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
7853-0028 Screening compound: 3-phenyl-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7853-0028
3-phenyl-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

7853-0028

Molecular Formula

C15H11F3N2O2S (C15 H11 F3 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

OC(C1)(C(F)(F)F)N(C(c2cccs2)=O)N=C1c1ccccc1

InChI

InChI=1S/C15H11F3N2O2S/c16-15(17,18)14(22)9-11(10-5-2-1-3-6-10)19-20(14)13(21)12-7-4-8-23-12/h1-8,22H,9H2/t14-/m0/s1

InChI Key

PSKLYINGMVJWAS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07360996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.33

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

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.24

Polar Surface Area

44.536

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

7853-0028 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7853-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7853-0028?
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What is the minimum amount of 7853-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7853-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7853-0028
  • 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 7853-0028 available by request