G755-0003 Screening compound: 8-methyl-2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of ChemDiv screening compound G755-0003
8-methyl-2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
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
G755-0003
Molecular Formula
C13H12N4OS2 (C13 H12 N4 OS2)
Compound Name
8-methyl-2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
IUPAC name
8-methyl-2-{[(5-methyl-134-thiadiazol-2-yl)sulfanyl]methyl}-4H-pyrido[12-a]pyrimidin-4-one
SMILES
Cc1nnc(SCC(N=C2N3C=CC(C)=C2)=CC3=O)s1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
304.4
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.486
Distribution Coefficient, logD
1.486
Water Solubility, LogSw
-1.71
Polar Surface Area
48.625
Acid Dissociation Constant (pKa)
23.70
Base Dissociation Constant (pKb)
2.93
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
23.10
G755-0003 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Targeted Diversity Library (40567 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with G755-0003 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)