E218-0854 Screening compound: N~6~-(2,3-dimethylcyclohexyl)-7-(2-furylmethyl)-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 E218-0854
N~6~-(2,3-dimethylcyclohexyl)-7-(2-furylmethyl)-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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E218-0854

Molecular Formula

C₂₄H₂₉N₃O₄ (C24 H29 N3 O4)

Compound Name

N~6~-(2,3-dimethylcyclohexyl)-7-(2-furylmethyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

IUPAC name

N-(23-dimethylcyclohexyl)-10-[(furan-2-yl)methyl]-11-methyl-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(CCC1)C(C)C1NC(C(C)(Cn1c2cc3c1cco3)N(Cc1ccco1)C2=O)=O

InChI

InChI=1S/C24H29N3O4/c1-15-6-4-8-18(16(15)2)25-23(29)24(3)14-26-19-9-11-31-21(19)12-20(26)22(28)27(24)13-17-7-5-10-30-17/h5,7,9-12,15-16,18H,4,6,8,13-14H2,1-3H3,(H,25,29)

InChI Key

PFUDSLDJOWHPGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-3.92

Polar Surface Area

57.348

Acid Dissociation Constant (pK_a)

14.28

Base Dissociation Constant (pK_b)

3.47

Number of Chiral Centers

4.00

Percent sp³ carbon bonding

50.00

E218-0854 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Male
Female
Hemic and lymphatic
Skin
Infections
Cancer
Digestive system
Respiratory tract
Nervous system
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Skin

Mechanism of action:

PPI modulators
Epigenetic
PPI modulators

Structure:

Cyclic compounds

Targets:

Others
Kinases

References: we are preparing a list of scientific research reports with E218-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-0854?
Check Price and Availability of E218-0854, 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 E218-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E218-0854
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for E218-0854

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 E218-0854 available by request