Y040-5996 Screening compound: 5-(1-benzofuran-2-yl)-1H-pyrazole

Y040-5996 Screening compound: 5-(1-benzofuran-2-yl)-1H-pyrazole
Y040-5996 Screening compound: 5-(1-benzofuran-2-yl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5996
5-(1-benzofuran-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

Y040-5996

Molecular Formula

C11H8N2O (C11 H8 N2 O)

Compound Name

5-(1-benzofuran-2-yl)-1H-pyrazole

IUPAC name

5-(1-benzofuran-2-yl)-1H-pyrazole

SMILES

c1c(-c2cc(cccc3)c3o2)[nH]nc1

InChI

InChI=1S/C11H8N2O/c1-2-4-10-8(3-1)7-11(14-10)9-5-6-12-13-9/h1-7H,(H,12,13)

InChI Key

AACMKKWADJBYOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09860609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.2

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.016

Distribution Coefficient, logD

3.016

Water Solubility, LogSw

-3.19

Polar Surface Area

31.861

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-5996 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-5996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5996?
Check Price and Availability of Y040-5996, 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 Y040-5996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5996
  • 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 Y040-5996 available by request