E525-0272 Screening compound: 2-(3-chlorobenzyl)-3-methyl-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-3-carboxamide

E525-0272 Screening compound: 2-(3-chlorobenzyl)-3-methyl-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-3-carboxamide
E525-0272 Screening compound: 2-(3-chlorobenzyl)-3-methyl-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E525-0272
2-(3-chlorobenzyl)-3-methyl-N~3~-(2-methylcyclohexyl)-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E525-0272

Molecular Formula

C26H29ClN4O2 (C26 H29 ClN4 O2)

Compound Name

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

IUPAC name

11-[(3-chlorophenyl)methyl]-12-methyl-N-(2-methylcyclohexyl)-10-oxo-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-12-carboxamide

SMILES

CC(CCCC1)C1NC(C(C)(Cn1c2nc3c1cccc3)N(Cc1cccc(Cl)c1)C2=O)=O

InChI

InChI=1S/C26H29ClN4O2/c1-17-8-3-4-11-20(17)29-25(33)26(2)16-30-22-13-6-5-12-21(22)28-23(30)24(32)31(26)15-18-9-7-10-19(27)14-18/h5-7,9-10,12-14,17,20H,3-4,8,11,15-16H2,1-2H3,(H,29,33)

InChI Key

XVUWEFJMBAJJOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27599827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.726

Distribution Coefficient, logD

5.726

Water Solubility, LogSw

-5.68

Polar Surface Area

50.692

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.30

E525-0272 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
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 E525-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E525-0272?
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What is the minimum amount of E525-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E525-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E525-0272
  • 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 E525-0272 available by request