8016-9187 Screening compound: 1-{7-acetyl-3-methyl-6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound 8016-9187
1-{7-acetyl-3-methyl-6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}ethan-1-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
8016-9187
Molecular Formula
C15H14N4O2S (C15 H14 N4 O2 S)
Compound Name
1-{7-acetyl-3-methyl-6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}ethan-1-one
IUPAC name
1-{7-acetyl-3-methyl-6-phenyl-5H-[124]triazolo[34-b][134]thiadiazin-5-yl}ethan-1-one
SMILES
CC(C(S1)=C(c2ccccc2)N(C(C)=O)n2c1nnc2C)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
314.37
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.268
Distribution Coefficient, logD
1.268
Water Solubility, LogSw
-2.04
Polar Surface Area
54.463
Acid Dissociation Constant (pKa)
19.73
Base Dissociation Constant (pKb)
-1.14
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
8016-9187 in Drug Discovery
Included in Screening Libraries
CNS targets activity set (6557 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
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 8016-9187 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 8016-9187, 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)