C796-0650 Screening compound: ethyl 5-(4-fluorophenyl)-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C796-0650 Screening compound: ethyl 5-(4-fluorophenyl)-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
C796-0650 Screening compound: ethyl 5-(4-fluorophenyl)-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 C796-0650
ethyl 5-(4-fluorophenyl)-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

C796-0650

Molecular Formula

C22H27FN4O4 (C22 H27 FN4 O4)

Compound Name

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

IUPAC name

ethyl 5-(4-fluorophenyl)-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)ccc2F)C2=O)c2c1)=O

InChI

InChI=1S/C22H27FN4O4/c1-5-31-20(29)17-12-18-19(28)27(16-8-6-15(23)7-9-16)22(4,13-26(18)25-17)21(30)24-11-10-14(2)3/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,24,30)/t22-/m0/s1

InChI Key

ATRZRNYCIPGREP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14797598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.07

Polar Surface Area

74.000

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

C796-0650 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C796-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0650?
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What is the minimum amount of C796-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0650
  • 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 C796-0650 available by request