C229-0782 Screening compound: 1-benzyl-5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound C229-0782
1-benzyl-5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
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
C229-0782
Molecular Formula
C28H26N2O6 (C28 H26 N2 O6)
Compound Name
1-benzyl-5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
IUPAC name
1-benzyl-5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid
SMILES
COc1ccc(C(C(C2C(N3c(cccc4)c4OC)=O)C3=O)NC2(Cc2ccccc2)C(O)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
486.52
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.778
Distribution Coefficient, logD
0.487
Water Solubility, LogSw
-3.32
Polar Surface Area
85.433
Acid Dissociation Constant (pKa)
5.11
Base Dissociation Constant (pKb)
6.01
Number of Chiral Centers
4.00
Percent sp3 carbon bonding
25.00
C229-0782 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antimitotic Tubulin Library (17355 compounds)
Cysteine Proteases Inhibitors Library (7839 compounds)
KRAS-Targeted Library (16000 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein-Protein Interaction Library (218420 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Hemic and lymphatic
- Cardiovascular
- Proteases
- Kinases
- PPI modulators
References: we are preparing a list of scientific research reports with C229-0782 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)