E533-0242 Screening compound: N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

E533-0242 Screening compound: N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
E533-0242 Screening compound: N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E533-0242
N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[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

E533-0242

Molecular Formula

C24H26N4O3 (C24 H26 N4 O3)

Compound Name

N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

IUPAC name

N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(pyridin-3-yl)methyl]-1H2H3H4H-pyrrolo[12-a]pyrazine-3-carboxamide

SMILES

CC(Cn1c2ccc1-c1ccco1)(C(NC1CCCC1)=O)N(Cc1cnccc1)C2=O

InChI

InChI=1S/C24H26N4O3/c1-24(23(30)26-18-7-2-3-8-18)16-27-19(21-9-5-13-31-21)10-11-20(27)22(29)28(24)15-17-6-4-12-25-14-17/h4-6,9-14,18H,2-3,7-8,15-16H2,1H3,(H,26,30)/t24-/m0/s1

InChI Key

HSBOJEODMWUEPM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14895973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.25

Polar Surface Area

58.678

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E533-0242 in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E533-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E533-0242?
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What is the minimum amount of E533-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E533-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E533-0242
  • 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 E533-0242 available by request