E533-0359 Screening compound: 2-{2-[butyl(ethyl)amino]ethyl}-N-cyclopentyl-6-(2-furyl)-3-methyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxamide

E533-0359 Screening compound: 2-{2-[butyl(ethyl)amino]ethyl}-N-cyclopentyl-6-(2-furyl)-3-methyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxamide
E533-0359 Screening compound: 2-{2-[butyl(ethyl)amino]ethyl}-N-cyclopentyl-6-(2-furyl)-3-methyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E533-0359
2-{2-[butyl(ethyl)amino]ethyl}-N-cyclopentyl-6-(2-furyl)-3-methyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-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

E533-0359

Molecular Formula

C26H38N4O3 (C26 H38 N4 O3)

Compound Name

2-{2-[butyl(ethyl)amino]ethyl}-N-cyclopentyl-6-(2-furyl)-3-methyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxamide

IUPAC name

2-{2-[butyl(ethyl)amino]ethyl}-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazine-3-carboxamide

SMILES

CCCCN(CC)CCN(C(C)(Cn1c2ccc1-c1ccco1)C(NC1CCCC1)=O)C2=O

InChI

InChI=1S/C26H38N4O3/c1-4-6-15-28(5-2)16-17-30-24(31)22-14-13-21(23-12-9-18-33-23)29(22)19-26(30,3)25(32)27-20-10-7-8-11-20/h9,12-14,18,20H,4-8,10-11,15-17,19H2,1-3H3,(H,27,32)/t26-/m0/s1

InChI Key

VVXJIBDMPCXRTI-SANMLTNESA-N

MDL Number (MFCD)

MFCD14896035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-3.89

Polar Surface Area

53.075

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.54

E533-0359 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E533-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E533-0359?
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What is the minimum amount of E533-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E533-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E533-0359
  • 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 E533-0359 available by request