P798-0010 Screening compound: 4-(3,4-dimethylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione
Chemical Structure Depiction of ChemDiv screening compound P798-0010
4-(3,4-dimethylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione
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
P798-0010
Molecular Formula
C14H13N3O2S (C14 H13 N3 O2 S)
Compound Name
4-(3,4-dimethylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione
IUPAC name
4-(34-dimethylphenyl)-4H-1lambda6-pyrido[23-e][124]thiadiazine-11-dione
SMILES
Cc(cc1)c(C)cc1N(C=N1)c(nccc2)c2S1(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
287.34
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.666
Distribution Coefficient, logD
2.665
Water Solubility, LogSw
-2.85
Polar Surface Area
53.350
Acid Dissociation Constant (pKa)
28.01
Base Dissociation Constant (pKb)
4.17
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.29
P798-0010 in Drug Discovery
Included in Screening Libraries
BRD4 Targeted Library (4534 compounds)
Fragments Library (11262 compounds)
SmartTM Library (51161 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Cardiovascular
- Metabolic
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Others
- Fragments
- Epigenetic
References: we are preparing a list of scientific research reports with P798-0010 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)