Y040-9691 Screening compound: 3-(thiophen-2-yl)-1H-pyrazole

Y040-9691 Screening compound: 3-(thiophen-2-yl)-1H-pyrazole
Y040-9691 Screening compound: 3-(thiophen-2-yl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9691
3-(thiophen-2-yl)-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

Y040-9691

Molecular Formula

C7H6N2S (C7 H6 N2 S)

Compound Name

3-(thiophen-2-yl)-1H-pyrazole

IUPAC name

3-(thiophen-2-yl)-1H-pyrazole

SMILES

c1csc(-c2n[nH]cc2)c1

InChI

InChI=1S/C7H6N2S/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)

InChI Key

TVNDPZYOQCCHTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00178757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

150.2

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.009

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-1.95

Polar Surface Area

24.587

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-9691 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • GPCR
  • Ion Channels
  • Phosphatases
Structure:
  • Pool
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-9691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9691?
Check Price and Availability of Y040-9691, 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 Y040-9691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9691
  • 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 Y040-9691 available by request