C797-1120 Screening compound: methyl 7-[(3-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

C797-1120 Screening compound: methyl 7-[(3-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate
C797-1120 Screening compound: methyl 7-[(3-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1120
methyl 7-[(3-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-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

C797-1120

Molecular Formula

C22H25ClN4O4 (C22 H25 ClN4 O4)

Compound Name

methyl 7-[(3-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

IUPAC name

methyl 7-[(3-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H6H7H8H-imidazo[15-a]pyrazine-1-carboxylate

SMILES

CC(Cn1c2c(C(OC)=O)nc1)(C(NC1CCCC1)=O)N(Cc1cccc(Cl)c1)C2=O

InChI

InChI=1S/C22H25ClN4O4/c1-22(21(30)25-16-8-3-4-9-16)12-26-13-24-17(20(29)31-2)18(26)19(28)27(22)11-14-6-5-7-15(23)10-14/h5-7,10,13,16H,3-4,8-9,11-12H2,1-2H3,(H,25,30)/t22-/m0/s1

InChI Key

SWWJYZFKRMQVKK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14798563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.924

Water Solubility, LogSw

-3.54

Polar Surface Area

72.950

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

C797-1120 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C797-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1120?
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What is the minimum amount of C797-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1120
  • 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 C797-1120 available by request