L998-0094 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

L998-0094 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
L998-0094 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L998-0094
N-(2H-1,3-benzodioxol-5-yl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

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

L998-0094

Molecular Formula

C20H19N3O5 (C20 H19 N3 O5)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CC(Nc1cccc(N(CC(C2)C(Nc(cc3)cc4c3OCO4)=O)C2=O)c1)=O

InChI

InChI=1S/C20H19N3O5/c1-12(24)21-14-3-2-4-16(8-14)23-10-13(7-19(23)25)20(26)22-15-5-6-17-18(9-15)28-11-27-17/h2-6,8-9,13H,7,10-11H2,1H3,(H,21,24)(H,22,26)/t13-/m1/s1

InChI Key

FXZMPCUHOWPLEE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27491589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.504

Distribution Coefficient, logD

1.503

Water Solubility, LogSw

-2.09

Polar Surface Area

80.457

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

L998-0094 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with L998-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L998-0094?
Check Price and Availability of L998-0094, 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 L998-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L998-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L998-0094
  • 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 L998-0094 available by request