C796-0703 Screening compound: ethyl 6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-5-{[4-(propan-2-yloxy)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C796-0703 Screening compound: ethyl 6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-5-{[4-(propan-2-yloxy)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
C796-0703 Screening compound: ethyl 6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-5-{[4-(propan-2-yloxy)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0703
ethyl 6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-5-{[4-(propan-2-yloxy)phenyl]methyl}-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

C796-0703

Molecular Formula

C26H36N4O5 (C26 H36 N4 O5)

Compound Name

ethyl 6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-5-{[4-(propan-2-yloxy)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

IUPAC name

ethyl 6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-5-{[4-(propan-2-yloxy)phenyl]methyl}-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxylate

SMILES

CCOC(c1nn(CC(C)(C(NCCC(C)C)=O)N(Cc(cc2)ccc2OC(C)C)C2=O)c2c1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-3.88

Polar Surface Area

81.414

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

C796-0703 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C796-0703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0703?
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What is the minimum amount of C796-0703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0703
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C796-0703 available by request