E627-0408 Screening compound: N-cyclohexyl-3,8-dimethyl-1-oxo-2-[(pyridin-2-yl)methyl]-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

E627-0408 Screening compound: N-cyclohexyl-3,8-dimethyl-1-oxo-2-[(pyridin-2-yl)methyl]-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
E627-0408 Screening compound: N-cyclohexyl-3,8-dimethyl-1-oxo-2-[(pyridin-2-yl)methyl]-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 E627-0408
N-cyclohexyl-3,8-dimethyl-1-oxo-2-[(pyridin-2-yl)methyl]-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

E627-0408

Molecular Formula

C30H33N5O2 (C30 H33 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(Cn(c1c2cc(C)cc1)c1c2-n2cccc2)(C(NC2CCCCC2)=O)N(Cc2ncccc2)C1=O

InChI

InChI=1S/C30H33N5O2/c1-21-13-14-25-24(18-21)26(33-16-8-9-17-33)27-28(36)35(19-23-12-6-7-15-31-23)30(2,20-34(25)27)29(37)32-22-10-4-3-5-11-22/h6-9,12-18,22H,3-5,10-11,19-20H2,1-2H3,(H,32,37)/t30-/m0/s1

InChI Key

GOZXYUDWWZURIM-PMERELPUSA-N

MDL Number (MFCD)

MFCD27600616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

5.384

Water Solubility, LogSw

-5.33

Polar Surface Area

53.440

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

E627-0408 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with E627-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E627-0408?
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What is the minimum amount of E627-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E627-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E627-0408
  • 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 E627-0408 available by request