D243-0134 Screening compound: 7-(tert-butyl)-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of ChemDiv screening compound D243-0134
7-(tert-butyl)-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-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
D243-0134
Molecular Formula
C15H21N3OS (C15 H21 N3 OS)
Compound Name
7-(tert-butyl)-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
IUPAC name
11-tert-butyl-4-ethyl-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one
SMILES
CCN1N=Nc(sc(C2)c3CCC2C(C)(C)C)c3C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
291.42
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.345
Distribution Coefficient, logD
4.345
Water Solubility, LogSw
-4.28
Polar Surface Area
40.752
Acid Dissociation Constant (pKa)
24.98
Base Dissociation Constant (pKb)
1.42
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
66.70
D243-0134 in Drug Discovery
Included in Screening Libraries
Soluble Diversity Library (15920 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with D243-0134 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)