Y040-9428 Screening compound: 4-(5-bromothiophen-2-yl)pyrimidin-2-amine

Y040-9428 Screening compound: 4-(5-bromothiophen-2-yl)pyrimidin-2-amine
Y040-9428 Screening compound: 4-(5-bromothiophen-2-yl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9428
4-(5-bromothiophen-2-yl)pyrimidin-2-amine

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

Y040-9428

Molecular Formula

C8H6BrN3S (C8 H6 BrN3 S)

Compound Name

4-(5-bromothiophen-2-yl)pyrimidin-2-amine

IUPAC name

4-(5-bromothiophen-2-yl)pyrimidin-2-amine

SMILES

Nc1nccc(-c(s2)ccc2Br)n1

InChI

InChI=1S/C8H6BrN3S/c9-7-2-1-6(13-7)5-3-4-11-8(10)12-5/h1-4H,(H2,10,11,12)

InChI Key

KXVXIEVIIDZAHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03617980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.13

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.653

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-2.73

Polar Surface Area

40.455

Acid Dissociation Constant (pKa)

20.37

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-9428 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

NOTUM (Wnt signaling) Library (3881 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:
  • Infections
  • Immune system
  • animal
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Structure:
  • Fragments
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-9428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9428?
Check Price and Availability of Y040-9428, 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 Y040-9428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9428
  • 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 Y040-9428 available by request