P950-0539 Screening compound: 3-[8-(thiophene-2-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile

P950-0539 Screening compound: 3-[8-(thiophene-2-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
P950-0539 Screening compound: 3-[8-(thiophene-2-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P950-0539
3-[8-(thiophene-2-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile

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

P950-0539

Molecular Formula

C18H14N4OS (C18 H14 N4 OS)

Compound Name

3-[8-(thiophene-2-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile

IUPAC name

3-[8-(thiophene-2-carbonyl)-5H6H7H8H-imidazo[12-a]pyrimidin-2-yl]benzonitrile

SMILES

N#Cc1cccc(-c2cn(CCCN3C(c4cccs4)=O)c3n2)c1

InChI

InChI=1S/C18H14N4OS/c19-11-13-4-1-5-14(10-13)15-12-21-7-3-8-22(18(21)20-15)17(23)16-6-2-9-24-16/h1-2,4-6,9-10,12H,3,7-8H2

InChI Key

BVKQWARFFPDPSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27616335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.38

Polar Surface Area

44.956

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

P950-0539 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P950-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P950-0539?
Check Price and Availability of P950-0539, 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 P950-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P950-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P950-0539
  • 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 P950-0539 available by request