E530-0021 Screening compound: 2'-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizin]-2-one

E530-0021 Screening compound: 2'-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizin]-2-one
E530-0021 Screening compound: 2'-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizin]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E530-0021
2'-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizin]-2-one

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

E530-0021

Molecular Formula

C26H29ClN4O2 (C26 H29 ClN4 O2)

Compound Name

2'-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizin]-2-one

IUPAC name

2'-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-11'22'5'6'7'7'a-octahydrospiro[indole-33'-pyrrolizin]-2-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(C1C(c(cccc2)c2N2)(C2=O)N(CCC2)C2C1)=O

InChI

InChI=1S/C26H29ClN4O2/c1-17-8-9-18(27)15-23(17)29-11-13-30(14-12-29)24(32)21-16-19-5-4-10-31(19)26(21)20-6-2-3-7-22(20)28-25(26)33/h2-3,6-9,15,19,21H,4-5,10-14,16H2,1H3,(H,28,33)

InChI Key

QJWNJKHSANGATK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.319

Distribution Coefficient, logD

4.318

Water Solubility, LogSw

-4.54

Polar Surface Area

48.385

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

46.20

E530-0021 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

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

References: we are preparing a list of scientific research reports with E530-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E530-0021?
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What is the minimum amount of E530-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E530-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E530-0021
  • 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 E530-0021 available by request