C797-1136 Screening compound: methyl 6-(cyclopentylcarbamoyl)-7-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

C797-1136 Screening compound: methyl 6-(cyclopentylcarbamoyl)-7-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate
C797-1136 Screening compound: methyl 6-(cyclopentylcarbamoyl)-7-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1136
methyl 6-(cyclopentylcarbamoyl)-7-[(3-methoxyphenyl)methyl]-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

C797-1136

Molecular Formula

C23H28N4O5 (C23 H28 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(Cn1c2c(C(OC)=O)nc1)(C(NC1CCCC1)=O)N(Cc1cc(OC)ccc1)C2=O

InChI

InChI=1S/C23H28N4O5/c1-23(22(30)25-16-8-4-5-9-16)13-26-14-24-18(21(29)32-3)19(26)20(28)27(23)12-15-7-6-10-17(11-15)31-2/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3,(H,25,30)/t23-/m0/s1

InChI Key

YIVVNJKSBWHLIB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14798567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.324

Distribution Coefficient, logD

2.324

Water Solubility, LogSw

-2.77

Polar Surface Area

80.494

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

C797-1136 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 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

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

References: we are preparing a list of scientific research reports with C797-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1136?
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What is the minimum amount of C797-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1136
  • 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 C797-1136 available by request