E530-0470 Screening compound: N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide

E530-0470 Screening compound: N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
E530-0470 Screening compound: N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E530-0470
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizine]-2'-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

E530-0470

Molecular Formula

C25H25N3O5 (C25 H25 N3 O5)

Compound Name

N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide

IUPAC name

N-(6-acetyl-2H-13-benzodioxol-5-yl)-1-methyl-2-oxo-11'22'5'6'7'7'a-octahydrospiro[indole-33'-pyrrolizine]-2'-carboxamide

SMILES

CC(c(cc1OCOc1c1)c1NC(C1C(c(cccc2)c2N2C)(C2=O)N(CCC2)C2C1)=O)=O

InChI

InChI=1S/C25H25N3O5/c1-14(29)16-11-21-22(33-13-32-21)12-19(16)26-23(30)18-10-15-6-5-9-28(15)25(18)17-7-3-4-8-20(17)27(2)24(25)31/h3-4,7-8,11-12,15,18H,5-6,9-10,13H2,1-2H3,(H,26,30)

InChI Key

AWAFIPLVXXYVMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.609

Distribution Coefficient, logD

2.014

Water Solubility, LogSw

-3.37

Polar Surface Area

72.375

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

E530-0470 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E530-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E530-0470?
Check Price and Availability of E530-0470, 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 E530-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E530-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E530-0470
  • 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 E530-0470 available by request