G282-3542 Screening compound: N1-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-N6-(3-methylbutyl)-8-oxo-7-propyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

Chemical Structure Depiction of ChemDiv screening compound G282-3542
N1-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-N6-(3-methylbutyl)-8-oxo-7-propyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

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

G282-3542

Molecular Formula

C₂₅H₃₉N₅O₃ (C25 H39 N5 O3)

Compound Name

N1-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-N6-(3-methylbutyl)-8-oxo-7-propyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

IUPAC name

N1-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-N6-(3-methylbutyl)-8-oxo-7-propyl-5H6H7H8H-imidazo[15-a]pyrazine-16-dicarboxamide

SMILES

CCCN(C(C)(Cn1c2c(C(NCCC3=CCCCC3)=O)nc1)C(NCCC(C)C)=O)C2=O

InChI

InChI=1S/C25H39N5O3/c1-5-15-30-23(32)21-20(22(31)26-14-12-19-9-7-6-8-10-19)28-17-29(21)16-25(30,4)24(33)27-13-11-18(2)3/h9,17-18H,5-8,10-16H2,1-4H3,(H,26,31)(H,27,33)/t25-/m0/s1

InChI Key

MLFPGALVHHWGFL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27213016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-2.87

Polar Surface Area

76.495

Acid Dissociation Constant (pK_a)

13.52

Base Dissociation Constant (pK_b)

3.52

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

68.00

G282-3542 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 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)

Targeted Diversity Library (40567 compounds)

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Infections
Cancer
Digestive system
Respiratory tract
Nervous system
Male
Female
Cardiovascular
Skin
Metabolic
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 G282-3542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G282-3542?
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What is the minimum amount of G282-3542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for G282-3542
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for G282-3542

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 G282-3542 available by request