E218-0140 Screening compound: N~6~-cyclohexyl-7-{2-[cyclohexyl(methyl)amino]ethyl}-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

Chemical Structure Depiction of ChemDiv screening compound E218-0140
N~6~-cyclohexyl-7-{2-[cyclohexyl(methyl)amino]ethyl}-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

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

E218-0140

Molecular Formula

C₂₆H₃₈N₄O₃ (C26 H38 N4 O3)

Compound Name

N~6~-cyclohexyl-7-{2-[cyclohexyl(methyl)amino]ethyl}-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

IUPAC name

N-cyclohexyl-10-{2-[cyclohexyl(methyl)amino]ethyl}-11-methyl-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(Cn1c2cc3c1cco3)(C(NC1CCCCC1)=O)N(CCN(C)C1CCCCC1)C2=O

InChI

InChI=1S/C26H38N4O3/c1-26(25(32)27-19-9-5-3-6-10-19)18-29-21-13-16-33-23(21)17-22(29)24(31)30(26)15-14-28(2)20-11-7-4-8-12-20/h13,16-17,19-20H,3-12,14-15,18H2,1-2H3,(H,27,32)/t26-/m0/s1

InChI Key

NTRVUBOPTWRMII-SANMLTNESA-N

MDL Number (MFCD)

MFCD27597814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.17

Polar Surface Area

52.225

Acid Dissociation Constant (pK_a)

14.54

Base Dissociation Constant (pK_b)

7.81

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

69.20

E218-0140 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 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
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Skin
Cancer
Digestive system
Female
Hemic and lymphatic
Skin

Mechanism of action:

PPI modulators
Receptor's ligands
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Mimetics

Targets:

GPCR
Kinases
Others

References: we are preparing a list of scientific research reports with E218-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-0140?
Check Price and Availability of E218-0140, 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 E218-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E218-0140
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for E218-0140

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 E218-0140 available by request