3473-0591 Screening compound: 3-(4-methylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of ChemDiv screening compound 3473-0591
3-(4-methylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-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
3473-0591
Molecular Formula
C17H16N2OS2 (C17 H16 N2 OS2)
Compound Name
3-(4-methylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
IUPAC name
4-(4-methylphenyl)-5-sulfanylidene-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-3-one
SMILES
Cc(cc1)ccc1N(C(c1c(N2)sc3c1CCCC3)=O)C2=S
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
328.46
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.170
Distribution Coefficient, logD
3.547
Water Solubility, LogSw
-4.34
Polar Surface Area
26.529
Acid Dissociation Constant (pKa)
6.89
Base Dissociation Constant (pKb)
-11.21
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.41
3473-0591 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Human Proteases Annotated Library (2868 compounds)
RNA-Protein Interaction Inhibitors Library (1986 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 3473-0591 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 3473-0591, 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.
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)