G565-1288 Screening compound: 7-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of ChemDiv screening compound G565-1288
7-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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
G565-1288
Molecular Formula
C16H16N6O2S2 (C16 H16 N6 O2 S2)
Compound Name
7-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
IUPAC name
7-({[5-(furan-2-yl)-4-methyl-4H-124-triazol-3-yl]sulfanyl}methyl)-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one
SMILES
CCCC(SC1=NC(CSc2nnc(-c3ccco3)n2C)=C2)=NN1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
388.47
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.482
Distribution Coefficient, logD
2.480
Water Solubility, LogSw
-2.50
Polar Surface Area
71.837
Acid Dissociation Constant (pKa)
22.73
Base Dissociation Constant (pKb)
5.05
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.30
G565-1288 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- Immune system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with G565-1288 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)