8525-0265 Screening compound: 3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(2-phenylethyl)pyrrolidine-2,5-dione

8525-0265 Screening compound: 3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(2-phenylethyl)pyrrolidine-2,5-dione
8525-0265 Screening compound: 3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(2-phenylethyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0265
3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(2-phenylethyl)pyrrolidine-2,5-dione

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

8525-0265

Molecular Formula

C22H23N3O2 (C22 H23 N3 O2)

Compound Name

3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(2-phenylethyl)pyrrolidine-2,5-dione

IUPAC name

3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(2-phenylethyl)pyrrolidine-25-dione

SMILES

O=C(CC1NCCc2c[nH]c3c2cccc3)N(CCc2ccccc2)C1=O

InChI

InChI=1S/C22H23N3O2/c26-21-14-20(22(27)25(21)13-11-16-6-2-1-3-7-16)23-12-10-17-15-24-19-9-5-4-8-18(17)19/h1-9,15,20,23-24H,10-14H2/t20-/m0/s1

InChI Key

VHFORPFEKISBNE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD08075718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.129

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-2.67

Polar Surface Area

51.211

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8525-0265 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8525-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0265?
Check Price and Availability of 8525-0265, 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 8525-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0265
  • 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 8525-0265 available by request