D115-0063 Screening compound: 3-(1-methyl-1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione

D115-0063 Screening compound: 3-(1-methyl-1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
D115-0063 Screening compound: 3-(1-methyl-1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D115-0063
3-(1-methyl-1H-indol-3-yl)-1-(3-methylphenyl)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

D115-0063

Molecular Formula

C20H18N2O2 (C20 H18 N2 O2)

Compound Name

3-(1-methyl-1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione

IUPAC name

3-(1-methyl-1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-25-dione

SMILES

Cc1cccc(N(C(CC2c3cn(C)c4c3cccc4)=O)C2=O)c1

InChI

InChI=1S/C20H18N2O2/c1-13-6-5-7-14(10-13)22-19(23)11-16(20(22)24)17-12-21(2)18-9-4-3-8-15(17)18/h3-10,12,16H,11H2,1-2H3/t16-/m0/s1

InChI Key

VLLNKNUCPLIXSP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03267921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.795

Water Solubility, LogSw

-2.99

Polar Surface Area

31.717

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D115-0063 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D115-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D115-0063?
Check Price and Availability of D115-0063, 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 D115-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D115-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D115-0063
  • 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 D115-0063 available by request