8440-2018 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione

8440-2018 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione
8440-2018 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8440-2018
3-[(2H-1,3-benzodioxol-5-yl)amino]-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

8440-2018

Molecular Formula

C18H16N2O4 (C18 H16 N2 O4)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione

IUPAC name

3-[(2H-13-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-25-dione

SMILES

Cc1cccc(N(C(CC2Nc(cc3)cc4c3OCO4)=O)C2=O)c1

InChI

InChI=1S/C18H16N2O4/c1-11-3-2-4-13(7-11)20-17(21)9-14(18(20)22)19-12-5-6-15-16(8-12)24-10-23-15/h2-8,14,19H,9-10H2,1H3/t14-/m0/s1

InChI Key

ZUMLVONMFIPTKC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06436720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.134

Distribution Coefficient, logD

2.134

Water Solubility, LogSw

-2.81

Polar Surface Area

56.702

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8440-2018 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8440-2018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8440-2018?
Check Price and Availability of 8440-2018, 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 8440-2018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8440-2018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8440-2018
  • 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 8440-2018 available by request