L998-1861 Screening compound: 1-(3-cyclobutaneamidophenyl)-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide

L998-1861 Screening compound: 1-(3-cyclobutaneamidophenyl)-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide
L998-1861 Screening compound: 1-(3-cyclobutaneamidophenyl)-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L998-1861
1-(3-cyclobutaneamidophenyl)-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-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

L998-1861

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

1-(3-cyclobutaneamidophenyl)-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide

IUPAC name

1-(3-cyclobutaneamidophenyl)-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(C(CC1=O)CN1c1cc(NC(C2CCC2)=O)ccc1)=O

InChI

InChI=1S/C25H29N3O3/c1-16(2)17-9-11-20(12-10-17)26-25(31)19-13-23(29)28(15-19)22-8-4-7-21(14-22)27-24(30)18-5-3-6-18/h4,7-12,14,16,18-19H,3,5-6,13,15H2,1-2H3,(H,26,31)(H,27,30)/t19-/m1/s1

InChI Key

PPJSBWLLSTZTKQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27491636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.272

Distribution Coefficient, logD

3.272

Water Solubility, LogSw

-3.40

Polar Surface Area

63.694

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

L998-1861 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 L998-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L998-1861?
Check Price and Availability of L998-1861, 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 L998-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L998-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L998-1861
  • 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 L998-1861 available by request