6197-5934 Screening compound: 3-(4-fluorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of ChemDiv screening compound 6197-5934
3-(4-fluorobenzyl)-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
6197-5934
Molecular Formula
C16H14FN3OS (C16 H14 FN3 OS)
Compound Name
3-(4-fluorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
IUPAC name
4-[(4-fluorophenyl)methyl]-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one
SMILES
O=C1N(Cc(cc2)ccc2F)N=Nc2c1c(CCCC1)c1s2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
315.37
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
3.985
Distribution Coefficient, logD
3.985
Water Solubility, LogSw
-4.38
Polar Surface Area
40.756
Acid Dissociation Constant (pKa)
22.99
Base Dissociation Constant (pKb)
0.59
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.30
6197-5934 in Drug Discovery
Included in Screening Libraries
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 6197-5934 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)