D398-0550 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-2-(4-methoxyphenyl)pyrrolidine

D398-0550 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-2-(4-methoxyphenyl)pyrrolidine
D398-0550 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-2-(4-methoxyphenyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0550
1-(2H-1,3-benzodioxole-5-carbonyl)-2-(4-methoxyphenyl)pyrrolidine

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

D398-0550

Molecular Formula

C19H19NO4 (C19 H19 NO4)

Compound Name

1-(2H-1,3-benzodioxole-5-carbonyl)-2-(4-methoxyphenyl)pyrrolidine

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-2-(4-methoxyphenyl)pyrrolidine

SMILES

COc1ccc(C(CCC2)N2C(c(cc2)cc3c2OCO3)=O)cc1

InChI

InChI=1S/C19H19NO4/c1-22-15-7-4-13(5-8-15)16-3-2-10-20(16)19(21)14-6-9-17-18(11-14)24-12-23-17/h4-9,11,16H,2-3,10,12H2,1H3/t16-/m0/s1

InChI Key

ZZRYPDXSAHTYTH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09345360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-3.19

Polar Surface Area

41.334

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D398-0550 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D398-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0550?
Check Price and Availability of D398-0550, 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 D398-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0550
  • 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 D398-0550 available by request