3740-0975 Screening compound: 5-(4-fluorophenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

3740-0975 Screening compound: 5-(4-fluorophenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
3740-0975 Screening compound: 5-(4-fluorophenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3740-0975
5-(4-fluorophenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

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

3740-0975

Molecular Formula

C20H16FN3S2 (C20 H16 FN3 S2)

Compound Name

5-(4-fluorophenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

IUPAC name

5-(4-fluorophenyl)-N-phenyl-3-(thiophen-2-yl)-45-dihydro-1H-pyrazole-1-carbothioamide

SMILES

Fc1ccc(C(C2)N(C(Nc3ccccc3)=S)N=C2c2cccs2)cc1

InChI

InChI=1S/C20H16FN3S2/c21-15-10-8-14(9-11-15)18-13-17(19-7-4-12-26-19)23-24(18)20(25)22-16-5-2-1-3-6-16/h1-12,18H,13H2,(H,22,25)/t18-/m0/s1

InChI Key

VGJUVRAFRKWCDN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02994760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.568

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-6.05

Polar Surface Area

22.383

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

3740-0975 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3740-0975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3740-0975?
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What is the minimum amount of 3740-0975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3740-0975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3740-0975
  • 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 3740-0975 available by request