E525-0889 Screening compound: N~3~-cycloheptyl-3-methyl-2-(2-morpholinoethyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-3-carboxamide

Chemical Structure Depiction of ChemDiv screening compound E525-0889
N~3~-cycloheptyl-3-methyl-2-(2-morpholinoethyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-3-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

E525-0889

Molecular Formula

C₂₅H₃₅N₅O₃ (C25 H35 N5 O3)

Compound Name

N~3~-cycloheptyl-3-methyl-2-(2-morpholinoethyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

N-cycloheptyl-12-methyl-11-[2-(morpholin-4-yl)ethyl]-10-oxo-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-12-carboxamide

SMILES

CC(Cn1c2nc3c1cccc3)(C(NC1CCCCCC1)=O)N(CCN1CCOCC1)C2=O

InChI

InChI=1S/C25H35N5O3/c1-25(24(32)26-19-8-4-2-3-5-9-19)18-29-21-11-7-6-10-20(21)27-22(29)23(31)30(25)13-12-28-14-16-33-17-15-28/h6-7,10-11,19H,2-5,8-9,12-18H2,1H3,(H,26,32)/t25-/m0/s1

InChI Key

ZSCIQZOURYPIOP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14895262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.28

Polar Surface Area

62.503

Acid Dissociation Constant (pK_a)

13.98

Base Dissociation Constant (pK_b)

5.78

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

64.00

E525-0889 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

Cyclic Ugi PPI Library (9586 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

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

Mechanism of action:

PPI modulators
Receptor's ligands
PPI modulators

Structure:

Cyclic compounds

Targets:

Kinases
GPCR
Kinases

References: we are preparing a list of scientific research reports with E525-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E525-0889?
Check Price and Availability of E525-0889, 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 E525-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E525-0889
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for E525-0889

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 E525-0889 available by request