P950-0568 Screening compound: 3-[8-(thiophene-3-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
Chemical Structure Depiction of ChemDiv screening compound P950-0568
3-[8-(thiophene-3-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
P950-0568
Molecular Formula
C18H14N4OS (C18 H14 N4 OS)
Compound Name
3-[8-(thiophene-3-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
IUPAC name
3-[8-(thiophene-3-carbonyl)-5H6H7H8H-imidazo[12-a]pyrimidin-2-yl]benzonitrile
SMILES
N#Cc1cccc(-c2cn(CCCN3C(c4cscc4)=O)c3n2)c1
InChI Key
MDL Number (MFCD)
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
3.121
Distribution Coefficient, logD
3.121
Water Solubility, LogSw
-3.10
Polar Surface Area
44.956
Acid Dissociation Constant (pKa)
22.10
Base Dissociation Constant (pKb)
3.13
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
P950-0568 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
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Kinases
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with P950-0568 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)