C433-0151 Screening compound: 2-[5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(4-phenoxyphenyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound C433-0151
2-[5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(4-phenoxyphenyl)acetamide
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
C433-0151
Molecular Formula
C26H23N5O5 (C26 H23 N5 O5)
Compound Name
2-[5-(4-ethoxyphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(4-phenoxyphenyl)acetamide
IUPAC name
2-[5-(4-ethoxyphenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILES
CCOc(cc1)ccc1N(C(C1N(CC(Nc(cc2)ccc2Oc2ccccc2)=O)N=NC11)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
485.5
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
3.305
Distribution Coefficient, logD
3.305
Water Solubility, LogSw
-3.62
Polar Surface Area
94.393
Acid Dissociation Constant (pKa)
11.14
Base Dissociation Constant (pKb)
1.08
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
19.20
C433-0151 in Drug Discovery
Included in Screening Libraries
Cysteine Proteases Inhibitors Library (7839 compounds)
MCL1 Targeted Library (12200 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
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Proteases
References: we are preparing a list of scientific research reports with C433-0151 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)