3455-0379 Screening compound: 8-allyl-9-(ethylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of ChemDiv screening compound 3455-0379
8-allyl-9-(ethylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-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
3455-0379
Molecular Formula
C19H18N2OS2 (C19 H18 N2 OS2)
Compound Name
8-allyl-9-(ethylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
IUPAC name
14-(ethylsulfanyl)-13-(prop-2-en-1-yl)-17-thia-1315-diazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(10)2(7)3511(16)14-hexaen-12-one
SMILES
CCSC(N1CC=C)=Nc(sc-2c3CCc4c2cccc4)c3C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
354.5
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.964
Distribution Coefficient, logD
4.964
Water Solubility, LogSw
-4.76
Polar Surface Area
25.844
Acid Dissociation Constant (pKa)
23.47
Base Dissociation Constant (pKb)
0.09
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.30
3455-0379 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
CNS targets activity set (6557 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 3455-0379 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)