L998-1947 Screening compound: 1-(3-cyclobutaneamidophenyl)-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-3-carboxamide

L998-1947 Screening compound: 1-(3-cyclobutaneamidophenyl)-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-3-carboxamide
L998-1947 Screening compound: 1-(3-cyclobutaneamidophenyl)-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L998-1947
1-(3-cyclobutaneamidophenyl)-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]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

L998-1947

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

1-(3-cyclobutaneamidophenyl)-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-3-carboxamide

IUPAC name

1-(3-cyclobutaneamidophenyl)-5-oxo-N-[(246-trimethylphenyl)methyl]pyrrolidine-3-carboxamide

SMILES

Cc1cc(C)c(CNC(C(CC2=O)CN2c2cc(NC(C3CCC3)=O)ccc2)=O)c(C)c1

InChI

InChI=1S/C26H31N3O3/c1-16-10-17(2)23(18(3)11-16)14-27-25(31)20-12-24(30)29(15-20)22-9-5-8-21(13-22)28-26(32)19-6-4-7-19/h5,8-11,13,19-20H,4,6-7,12,14-15H2,1-3H3,(H,27,31)(H,28,32)/t20-/m1/s1

InChI Key

VKIHJTUMKDVFAD-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27491639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

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

3.415

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.58

Polar Surface Area

65.016

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

L998-1947 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

MCL1 Targeted Library (12200 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

Therapeutical areas:
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L998-1947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L998-1947?
Check Price and Availability of L998-1947, 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 L998-1947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L998-1947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L998-1947
  • 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 L998-1947 available by request