8442-0392 Screening compound: 3-{[2-(5-methyl-1H-indol-3-yl)ethyl]amino}-1-[4-(propan-2-yl)phenyl]pyrrolidine-2,5-dione

8442-0392 Screening compound: 3-{[2-(5-methyl-1H-indol-3-yl)ethyl]amino}-1-[4-(propan-2-yl)phenyl]pyrrolidine-2,5-dione
8442-0392 Screening compound: 3-{[2-(5-methyl-1H-indol-3-yl)ethyl]amino}-1-[4-(propan-2-yl)phenyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8442-0392
3-{[2-(5-methyl-1H-indol-3-yl)ethyl]amino}-1-[4-(propan-2-yl)phenyl]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

8442-0392

Molecular Formula

C24H27N3O2 (C24 H27 N3 O2)

Compound Name

3-{[2-(5-methyl-1H-indol-3-yl)ethyl]amino}-1-[4-(propan-2-yl)phenyl]pyrrolidine-2,5-dione

IUPAC name

3-{[2-(5-methyl-1H-indol-3-yl)ethyl]amino}-1-[4-(propan-2-yl)phenyl]pyrrolidine-25-dione

SMILES

CC(C)c(cc1)ccc1N(C(CC1NCCc2c[nH]c3c2cc(C)cc3)=O)C1=O

InChI

InChI=1S/C24H27N3O2/c1-15(2)17-5-7-19(8-6-17)27-23(28)13-22(24(27)29)25-11-10-18-14-26-21-9-4-16(3)12-20(18)21/h4-9,12,14-15,22,25-26H,10-11,13H2,1-3H3/t22-/m0/s1

InChI Key

HHGCDXBWXWVDDD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD07469499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.38

Polar Surface Area

50.621

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8442-0392 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

MCL1 Targeted Library (12200 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8442-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8442-0392?
Check Price and Availability of 8442-0392, 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 8442-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8442-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8442-0392
  • 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 8442-0392 available by request