E627-0286 Screening compound: 3,8-dimethyl-N-(3-methylbutyl)-1-oxo-2-propyl-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

E627-0286 Screening compound: 3,8-dimethyl-N-(3-methylbutyl)-1-oxo-2-propyl-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
E627-0286 Screening compound: 3,8-dimethyl-N-(3-methylbutyl)-1-oxo-2-propyl-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E627-0286
3,8-dimethyl-N-(3-methylbutyl)-1-oxo-2-propyl-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-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

E627-0286

Molecular Formula

C26H34N4O2 (C26 H34 N4 O2)

Compound Name

3,8-dimethyl-N-(3-methylbutyl)-1-oxo-2-propyl-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

IUPAC name

38-dimethyl-N-(3-methylbutyl)-1-oxo-2-propyl-10-(1H-pyrrol-1-yl)-1H2H3H4H-pyrazino[12-a]indole-3-carboxamide

SMILES

CCCN(C(C)(Cn(c1c2cc(C)cc1)c1c2-n2cccc2)C(NCCC(C)C)=O)C1=O

InChI

InChI=1S/C26H34N4O2/c1-6-13-30-24(31)23-22(28-14-7-8-15-28)20-16-19(4)9-10-21(20)29(23)17-26(30,5)25(32)27-12-11-18(2)3/h7-10,14-16,18H,6,11-13,17H2,1-5H3,(H,27,32)/t26-/m0/s1

InChI Key

XSSAZMVFPQLQPH-SANMLTNESA-N

MDL Number (MFCD)

MFCD27600603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.525

Distribution Coefficient, logD

5.525

Water Solubility, LogSw

-5.37

Polar Surface Area

44.535

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

E627-0286 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cardiovascular Library (22201 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 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:
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • 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
  • Others

References: we are preparing a list of scientific research reports with E627-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E627-0286?
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What is the minimum amount of E627-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E627-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E627-0286
  • 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 E627-0286 available by request