1652-1800 Screening compound: (4E)-4-[2-(2-cyanophenyl)hydrazin-1-ylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide

1652-1800 Screening compound: (4E)-4-[2-(2-cyanophenyl)hydrazin-1-ylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
1652-1800 Screening compound: (4E)-4-[2-(2-cyanophenyl)hydrazin-1-ylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1652-1800
(4E)-4-[2-(2-cyanophenyl)hydrazin-1-ylidene]-5-oxo-3-phenyl-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

1652-1800

Molecular Formula

C17H12N6OS (C17 H12 N6 OS)

Compound Name

(4E)-4-[2-(2-cyanophenyl)hydrazin-1-ylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide

IUPAC name

(4E)-4-[2-(2-cyanophenyl)hydrazin-1-ylidene]-5-oxo-3-phenyl-45-dihydro-1H-pyrazole-1-carbothioamide

SMILES

NC(N(C(/C1=N/Nc(cccc2)c2C#N)=O)N=C1c1ccccc1)=S

InChI

InChI=1S/C17H12N6OS/c18-10-12-8-4-5-9-13(12)20-21-15-14(11-6-2-1-3-7-11)22-23(16(15)24)17(19)25/h1-9,20H,(H2,19,25)

InChI Key

HTVACVYSXXKKQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01078260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

2.471

Water Solubility, LogSw

-3.14

Polar Surface Area

79.256

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1652-1800 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1652-1800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1652-1800?
Check Price and Availability of 1652-1800, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1652-1800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1652-1800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1652-1800
  • 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 1652-1800 available by request