E533-0457 Screening compound: N-cycloheptyl-2-[2-(diethylamino)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

E533-0457 Screening compound: N-cycloheptyl-2-[2-(diethylamino)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
E533-0457 Screening compound: N-cycloheptyl-2-[2-(diethylamino)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E533-0457
N-cycloheptyl-2-[2-(diethylamino)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-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

E533-0457

Molecular Formula

C26H38N4O3 (C26 H38 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCN(C(C)(Cn1c2ccc1-c1ccco1)C(NC1CCCCCC1)=O)C2=O

InChI

InChI=1S/C26H38N4O3/c1-4-28(5-2)16-17-30-24(31)22-15-14-21(23-13-10-18-33-23)29(22)19-26(30,3)25(32)27-20-11-8-6-7-9-12-20/h10,13-15,18,20H,4-9,11-12,16-17,19H2,1-3H3,(H,27,32)/t26-/m0/s1

InChI Key

RHYNBPGCNCMYSV-SANMLTNESA-N

MDL Number (MFCD)

MFCD14896075

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

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

3.980

Water Solubility, LogSw

-4.08

Polar Surface Area

52.786

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.50

E533-0457 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E533-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E533-0457?
Check Price and Availability of E533-0457, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E533-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E533-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E533-0457
  • 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 E533-0457 available by request