C796-0754 Screening compound: ethyl 6-(benzylcarbamoyl)-5-[(3-ethylphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C796-0754 Screening compound: ethyl 6-(benzylcarbamoyl)-5-[(3-ethylphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
C796-0754 Screening compound: ethyl 6-(benzylcarbamoyl)-5-[(3-ethylphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0754
ethyl 6-(benzylcarbamoyl)-5-[(3-ethylphenyl)methyl]-6-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

C796-0754

Molecular Formula

C27H30N4O4 (C27 H30 N4 O4)

Compound Name

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

IUPAC name

ethyl 6-(benzylcarbamoyl)-5-[(3-ethylphenyl)methyl]-6-methyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxylate

SMILES

CCc1cccc(CN(C(C)(Cn(c2c3)nc3C(OCC)=O)C(NCc3ccccc3)=O)C2=O)c1

InChI

InChI=1S/C27H30N4O4/c1-4-19-12-9-13-21(14-19)17-30-24(32)23-15-22(25(33)35-5-2)29-31(23)18-27(30,3)26(34)28-16-20-10-7-6-8-11-20/h6-15H,4-5,16-18H2,1-3H3,(H,28,34)/t27-/m0/s1

InChI Key

VOAFULAIMSPCNM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14797657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

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

4.013

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-4.02

Polar Surface Area

74.499

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C796-0754 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C796-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0754?
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What is the minimum amount of C796-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0754
  • 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 C796-0754 available by request