Y040-9529 Screening compound: 3-(5-bromothiophen-2-yl)-1H-pyrazole

Y040-9529 Screening compound: 3-(5-bromothiophen-2-yl)-1H-pyrazole
Y040-9529 Screening compound: 3-(5-bromothiophen-2-yl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9529
3-(5-bromothiophen-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

Y040-9529

Molecular Formula

C7H5BrN2S (C7 H5 BrN2 S)

Compound Name

3-(5-bromothiophen-2-yl)-1H-pyrazole

IUPAC name

3-(5-bromothiophen-2-yl)-1H-pyrazole

SMILES

Brc1ccc(-c2n[nH]cc2)s1

InChI

InChI=1S/C7H5BrN2S/c8-7-2-1-6(11-7)5-3-4-9-10-5/h1-4H,(H,9,10)

InChI Key

RBOKZFIVGFLORX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00111430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.1

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

2.882

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.11

Polar Surface Area

24.587

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-9529 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-9529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9529?
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What is the minimum amount of Y040-9529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9529
  • 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 Y040-9529 available by request