E774-0117 Screening compound: methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-{[4-(propan-2-yloxy)phenyl]methyl}-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

E774-0117 Screening compound: methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-{[4-(propan-2-yloxy)phenyl]methyl}-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate
E774-0117 Screening compound: methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-{[4-(propan-2-yloxy)phenyl]methyl}-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E774-0117
methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-{[4-(propan-2-yloxy)phenyl]methyl}-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

E774-0117

Molecular Formula

C25H32N4O5 (C25 H32 N4 O5)

Compound Name

methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-{[4-(propan-2-yloxy)phenyl]methyl}-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

IUPAC name

methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-{[4-(propan-2-yloxy)phenyl]methyl}-5H6H7H8H-imidazo[15-a]pyrazine-1-carboxylate

SMILES

CC(C)Oc1ccc(CN(C(C)(Cn2c3c(C(OC)=O)nc2)C(NC2CCCC2)=O)C3=O)cc1

InChI

InChI=1S/C25H32N4O5/c1-16(2)34-19-11-9-17(10-12-19)13-29-22(30)21-20(23(31)33-4)26-15-28(21)14-25(29,3)24(32)27-18-7-5-6-8-18/h9-12,15-16,18H,5-8,13-14H2,1-4H3,(H,27,32)/t25-/m0/s1

InChI Key

VNNWHMFFRHOFKI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27601760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.29

Polar Surface Area

79.753

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

E774-0117 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with E774-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E774-0117?
Check Price and Availability of E774-0117, 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 E774-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E774-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E774-0117
  • 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 E774-0117 available by request