C796-0660 Screening compound: ethyl 5-(2H-1,3-benzodioxol-5-yl)-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C796-0660 Screening compound: ethyl 5-(2H-1,3-benzodioxol-5-yl)-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
C796-0660 Screening compound: ethyl 5-(2H-1,3-benzodioxol-5-yl)-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 C796-0660
ethyl 5-(2H-1,3-benzodioxol-5-yl)-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

C796-0660

Molecular Formula

C23H28N4O6 (C23 H28 N4 O6)

Compound Name

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

IUPAC name

ethyl 5-(2H-13-benzodioxol-5-yl)-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(c(cc2)cc3c2OCO3)C2=O)c2c1)=O

InChI

InChI=1S/C23H28N4O6/c1-5-31-21(29)16-11-17-20(28)27(15-6-7-18-19(10-15)33-13-32-18)23(4,12-26(17)25-16)22(30)24-9-8-14(2)3/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,24,30)/t23-/m0/s1

InChI Key

GLHCFCZGDFRCFA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14797607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.656

Distribution Coefficient, logD

2.656

Water Solubility, LogSw

-3.05

Polar Surface Area

91.116

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

C796-0660 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 C796-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0660?
Check Price and Availability of C796-0660, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C796-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0660
  • 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 C796-0660 available by request