E774-0398 Screening compound: methyl 6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-7-(3-phenylpropyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

E774-0398 Screening compound: methyl 6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-7-(3-phenylpropyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate
E774-0398 Screening compound: methyl 6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-7-(3-phenylpropyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E774-0398
methyl 6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-7-(3-phenylpropyl)-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

E774-0398

Molecular Formula

C26H34N4O4 (C26 H34 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Cn1c2c(C(OC)=O)nc1)(C(NC1CCCCCC1)=O)N(CCCc1ccccc1)C2=O

InChI

InChI=1S/C26H34N4O4/c1-26(25(33)28-20-14-8-3-4-9-15-20)17-29-18-27-21(24(32)34-2)22(29)23(31)30(26)16-10-13-19-11-6-5-7-12-19/h5-7,11-12,18,20H,3-4,8-10,13-17H2,1-2H3,(H,28,33)/t26-/m0/s1

InChI Key

WATXFWYXDRHUCJ-SANMLTNESA-N

MDL Number (MFCD)

MFCD14917704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

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

3.858

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-3.92

Polar Surface Area

72.894

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

E774-0398 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 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 E774-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E774-0398?
Check Price and Availability of E774-0398, 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 E774-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E774-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E774-0398
  • 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 E774-0398 available by request