L998-0085 Screening compound: N-(3-acetylphenyl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

L998-0085 Screening compound: N-(3-acetylphenyl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
L998-0085 Screening compound: N-(3-acetylphenyl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L998-0085
N-(3-acetylphenyl)-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

L998-0085

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

N-(3-acetylphenyl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(3-acetylphenyl)-1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CC(c1cccc(NC(C(CC2=O)CN2c2cc(NC(C)=O)ccc2)=O)c1)=O

InChI

InChI=1S/C21H21N3O4/c1-13(25)15-5-3-6-17(9-15)23-21(28)16-10-20(27)24(12-16)19-8-4-7-18(11-19)22-14(2)26/h3-9,11,16H,10,12H2,1-2H3,(H,22,26)(H,23,28)/t16-/m1/s1

InChI Key

BBLHZOFMKLWSRT-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15138477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

1.409

Water Solubility, LogSw

-2.07

Polar Surface Area

77.168

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

L998-0085 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L998-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L998-0085?
Check Price and Availability of L998-0085, 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 L998-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L998-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L998-0085
  • 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 L998-0085 available by request