E774-0102 Screening compound: methyl 6-(cyclopentylcarbamoyl)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

Chemical Structure Depiction of ChemDiv screening compound E774-0102
methyl 6-(cyclopentylcarbamoyl)-7-[(4-ethoxy-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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E774-0102

Molecular Formula

C₂₅H₃₂N₄O₆ (C25 H32 N4 O6)

Compound Name

methyl 6-(cyclopentylcarbamoyl)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

IUPAC name

methyl 6-(cyclopentylcarbamoyl)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-6-methyl-8-oxo-5H6H7H8H-imidazo[15-a]pyrazine-1-carboxylate

SMILES

CCOc(ccc(CN(C(C)(Cn1c2c(C(OC)=O)nc1)C(NC1CCCC1)=O)C2=O)c1)c1OC

InChI

InChI=1S/C25H32N4O6/c1-5-35-18-11-10-16(12-19(18)33-3)13-29-22(30)21-20(23(31)34-4)26-15-28(21)14-25(29,2)24(32)27-17-8-6-7-9-17/h10-12,15,17H,5-9,13-14H2,1-4H3,(H,27,32)/t25-/m0/s1

InChI Key

CHEVNOJFKSQEHN-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27601755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.187

Distribution Coefficient, logD

2.187

Water Solubility, LogSw

-2.75

Polar Surface Area

87.791

Acid Dissociation Constant (pK_a)

15.47

Base Dissociation Constant (pK_b)

1.25

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

52.00

E774-0102 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

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)

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Male
Female
Hemic and lymphatic
Skin
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 E774-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E774-0102?
Check Price and Availability of E774-0102, 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 E774-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E774-0102
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for E774-0102

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 E774-0102 available by request