3949-2229 Screening compound: 2-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of ChemDiv screening compound 3949-2229
2-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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
3949-2229
Molecular Formula
C27H28N2O3S (C27 H28 N2 O3 S)
Compound Name
2-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
IUPAC name
5-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one
SMILES
CCc1cc(C)cc(OCCOc(cc2)ccc2C(N2)=Nc(sc3c4CCCC3)c4C2=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
460.6
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
6.736
Distribution Coefficient, logD
6.710
Water Solubility, LogSw
-5.65
Polar Surface Area
49.278
Acid Dissociation Constant (pKa)
8.62
Base Dissociation Constant (pKb)
1.99
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
3949-2229 in Drug Discovery
Included in Screening Libraries
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
Lipid Metabolism Library (9174 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cardiovascular
- Metabolic
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Epigenetic
References: we are preparing a list of scientific research reports with 3949-2229 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)