8012-9804 Screening compound: 1,3-diphenyl-4-(thiophene-2-carbonyl)-1H-pyrazole

8012-9804 Screening compound: 1,3-diphenyl-4-(thiophene-2-carbonyl)-1H-pyrazole
8012-9804 Screening compound: 1,3-diphenyl-4-(thiophene-2-carbonyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9804
1,3-diphenyl-4-(thiophene-2-carbonyl)-1H-pyrazole

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

8012-9804

Molecular Formula

C20H14N2OS (C20 H14 N2 OS)

Compound Name

1,3-diphenyl-4-(thiophene-2-carbonyl)-1H-pyrazole

IUPAC name

13-diphenyl-4-(thiophene-2-carbonyl)-1H-pyrazole

SMILES

O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccs1

InChI

InChI=1S/C20H14N2OS/c23-20(18-12-7-13-24-18)17-14-22(16-10-5-2-6-11-16)21-19(17)15-8-3-1-4-9-15/h1-14H

InChI Key

YAGGYNREDSJREN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01928516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.755

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.86

Polar Surface Area

29.356

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8012-9804 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-9804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9804?
Check Price and Availability of 8012-9804, 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 8012-9804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9804
  • 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 8012-9804 available by request