C796-0699 Screening compound: ethyl 5-[3-(ethoxycarbonyl)phenyl]-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C796-0699 Screening compound: ethyl 5-[3-(ethoxycarbonyl)phenyl]-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
C796-0699 Screening compound: ethyl 5-[3-(ethoxycarbonyl)phenyl]-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0699
ethyl 5-[3-(ethoxycarbonyl)phenyl]-6-methyl-6-[(3-methylbutyl)carbamoyl]-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

C796-0699

Molecular Formula

C25H32N4O6 (C25 H32 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1nn(CC(C)(C(NCCC(C)C)=O)N(c2cc(C(OCC)=O)ccc2)C2=O)c2c1)=O

InChI

InChI=1S/C25H32N4O6/c1-6-34-22(31)17-9-8-10-18(13-17)29-21(30)20-14-19(23(32)35-7-2)27-28(20)15-25(29,5)24(33)26-12-11-16(3)4/h8-10,13-14,16H,6-7,11-12,15H2,1-5H3,(H,26,33)/t25-/m0/s1

InChI Key

PEBAPIOCWSDUAR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14797640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.50

Polar Surface Area

94.754

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

C796-0699 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 C796-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0699?
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What is the minimum amount of C796-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0699
  • 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 C796-0699 available by request