P799-0499 Screening compound: [4-(3-chlorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide
Chemical Structure Depiction of ChemDiv screening compound P799-0499
[4-(3-chlorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide
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
P799-0499
Molecular Formula
C14H9ClN4O3S (C14 H9 ClN4 O3 S)
Compound Name
[4-(3-chlorophenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl cyanide
IUPAC name
2-[4-(3-chlorophenyl)-113-trioxo-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazin-2-yl]acetonitrile
SMILES
N#CCN(C(N(c1cccc(Cl)c1)c1ncccc11)=O)S1(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
348.77
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.576
Distribution Coefficient, logD
1.576
Water Solubility, LogSw
-2.62
Polar Surface Area
74.420
Acid Dissociation Constant (pKa)
21.72
Base Dissociation Constant (pKb)
-3.17
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
7.10
P799-0499 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
BRD4 Targeted Library (4534 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Cardiovascular
- Metabolic
- Others
References: we are preparing a list of scientific research reports with P799-0499 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)