C796-0639 Screening compound: ethyl 6-methyl-6-[(3-methylbutyl)carbamoyl]-5-[(4-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound C796-0639
ethyl 6-methyl-6-[(3-methylbutyl)carbamoyl]-5-[(4-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
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
C796-0639
Molecular Formula
C24H32N4O4 (C24 H32 N4 O4)
Compound Name
ethyl 6-methyl-6-[(3-methylbutyl)carbamoyl]-5-[(4-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
IUPAC name
ethyl 6-methyl-6-[(3-methylbutyl)carbamoyl]-5-[(4-methylphenyl)methyl]-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxylate
SMILES
CCOC(c1nn(CC(C)(C(NCCC(C)C)=O)N(Cc2ccc(C)cc2)C2=O)c2c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
440.54
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.589
Distribution Coefficient, logD
3.589
Water Solubility, LogSw
-3.55
Polar Surface Area
74.612
Acid Dissociation Constant (pKa)
13.52
Base Dissociation Constant (pKb)
3.20
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
C796-0639 in Drug Discovery
Included in Screening Libraries
Cyclic Ugi PPI Library (9586 compounds)
Protein-Protein Interaction Library (218420 compounds)
Targeted Diversity Library (40567 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with C796-0639 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)