C433-0339 Screening compound: 1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
Chemical Structure Depiction of ChemDiv screening compound C433-0339
1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-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
C433-0339
Molecular Formula
C18H15FN4O2 (C18 H15 FN4 O2)
Compound Name
1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
IUPAC name
1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione
SMILES
Cc(cc1)ccc1N(C(C1N(Cc(cccc2)c2F)N=NC11)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
338.34
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.360
Distribution Coefficient, logD
2.360
Water Solubility, LogSw
-2.56
Polar Surface Area
57.373
Acid Dissociation Constant (pKa)
10.79
Base Dissociation Constant (pKb)
-0.69
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
22.20
C433-0339 in Drug Discovery
Included in Screening Libraries
Cysteine Proteases Inhibitors Library (7839 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with C433-0339 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)