E533-0892 Screening compound: N-(2,3-dimethylcyclohexyl)-2-[(4-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E533-0892
N-(2,3-dimethylcyclohexyl)-2-[(4-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
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
E533-0892
Molecular Formula
C28H32FN3O3 (C28 H32 FN3 O3)
Compound Name
N-(2,3-dimethylcyclohexyl)-2-[(4-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
IUPAC name
N-(23-dimethylcyclohexyl)-2-[(4-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazine-3-carboxamide
SMILES
CC(CCC1)C(C)C1NC(C(C)(Cn1c2ccc1-c1ccco1)N(Cc(cc1)ccc1F)C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
477.58
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.191
Distribution Coefficient, logD
5.191
Water Solubility, LogSw
-4.95
Polar Surface Area
49.184
Acid Dissociation Constant (pKa)
14.41
Base Dissociation Constant (pKb)
3.42
Number of Chiral Centers
4.00
Percent sp3 carbon bonding
42.90
E533-0892 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antimitotic Tubulin Library (17355 compounds)
Cyclic Ugi PPI Library (9586 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with E533-0892 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)