4112-4233 Screening compound: ethyl 4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yloxy)benzoate
Chemical Structure Depiction of ChemDiv screening compound 4112-4233
ethyl 4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yloxy)benzoate
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
4112-4233
Molecular Formula
C19H18N2O3S (C19 H18 N2 O3 S)
Compound Name
ethyl 4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yloxy)benzoate
IUPAC name
ethyl 4-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yloxy}benzoate
SMILES
CCOC(c(cc1)ccc1Oc1c(c(CCCC2)c2s2)c2ncn1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
354.43
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.333
Distribution Coefficient, logD
5.333
Water Solubility, LogSw
-5.36
Polar Surface Area
49.333
Acid Dissociation Constant (pKa)
25.24
Base Dissociation Constant (pKb)
1.46
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.60
4112-4233 in Drug Discovery
Included in Screening Libraries
Antifungal Library (16415 compounds)
Antiparasite Library (23996 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Infections
- Immune system
- animal
- Agro
- Agro
References: we are preparing a list of scientific research reports with 4112-4233 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)