D115-0092 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-1-(2-methylphenyl)pyrrolidine-2,5-dione

D115-0092 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-1-(2-methylphenyl)pyrrolidine-2,5-dione
D115-0092 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-1-(2-methylphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D115-0092
3-(1-benzyl-1H-indol-3-yl)-1-(2-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

D115-0092

Molecular Formula

C26H22N2O2 (C26 H22 N2 O2)

Compound Name

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

IUPAC name

3-(1-benzyl-1H-indol-3-yl)-1-(2-methylphenyl)pyrrolidine-25-dione

SMILES

Cc(cccc1)c1N(C(CC1c2cn(Cc3ccccc3)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C26H22N2O2/c1-18-9-5-7-13-23(18)28-25(29)15-21(26(28)30)22-17-27(16-19-10-3-2-4-11-19)24-14-8-6-12-20(22)24/h2-14,17,21H,15-16H2,1H3/t21-/m0/s1

InChI Key

INXZTBMRBZXPBX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03294584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

4.216

Water Solubility, LogSw

-4.17

Polar Surface Area

30.589

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

D115-0092 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D115-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D115-0092?
Check Price and Availability of D115-0092, 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 D115-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D115-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D115-0092
  • 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 D115-0092 available by request