E774-0259 Screening compound: methyl 6-(cyclohexylcarbamoyl)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

Chemical Structure Depiction of ChemDiv screening compound E774-0259
methyl 6-(cyclohexylcarbamoyl)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E774-0259

Molecular Formula

C₂₄H₂₈N₄O₆ (C24 H28 N4 O6)

Compound Name

methyl 6-(cyclohexylcarbamoyl)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

IUPAC name

methyl 6-(cyclohexylcarbamoyl)-7-(23-dihydro-14-benzodioxin-6-yl)-6-methyl-8-oxo-5H6H7H8H-imidazo[15-a]pyrazine-1-carboxylate

SMILES

CC(Cn1c2c(C(OC)=O)nc1)(C(NC1CCCCC1)=O)N(c(cc1)cc3c1OCCO3)C2=O

InChI

InChI=1S/C24H28N4O6/c1-24(23(31)26-15-6-4-3-5-7-15)13-27-14-25-19(22(30)32-2)20(27)21(29)28(24)16-8-9-17-18(12-16)34-11-10-33-17/h8-9,12,14-15H,3-7,10-11,13H2,1-2H3,(H,26,31)/t24-/m0/s1

InChI Key

MZHFMQQVUWCUJO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27601776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

1.324

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-2.24

Polar Surface Area

87.796

Acid Dissociation Constant (pK_a)

14.77

Base Dissociation Constant (pK_b)

3.62

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

50.00

E774-0259 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)

Developmental Pathway (Hh/Wnt) Set (2238 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
Cancer
Digestive system
Female
Hemic and lymphatic
Skin

Mechanism of action:

PPI modulators
Receptor's ligands
PPI modulators
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Mimetics
Mimetics

Targets:

GPCR
Others

References: we are preparing a list of scientific research reports with E774-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E774-0259?
Check Price and Availability of E774-0259, 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 E774-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E774-0259
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for E774-0259

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 E774-0259 available by request