L426-2726 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-(4-cyclopropaneamidophenyl)cyclobutane-1-carboxamide

L426-2726 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-(4-cyclopropaneamidophenyl)cyclobutane-1-carboxamide
L426-2726 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-(4-cyclopropaneamidophenyl)cyclobutane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L426-2726
N-[(2-chloro-4-fluorophenyl)methyl]-1-(4-cyclopropaneamidophenyl)cyclobutane-1-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

L426-2726

Molecular Formula

C22H22ClFN2O2 (C22 H22 ClFN2 O2)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-1-(4-cyclopropaneamidophenyl)cyclobutane-1-carboxamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-1-(4-cyclopropaneamidophenyl)cyclobutane-1-carboxamide

SMILES

O=C(C1CC1)Nc1ccc(C2(CCC2)C(NCc(ccc(F)c2)c2Cl)=O)cc1

InChI

InChI=1S/C22H22ClFN2O2/c23-19-12-17(24)7-4-15(19)13-25-21(28)22(10-1-11-22)16-5-8-18(9-6-16)26-20(27)14-2-3-14/h4-9,12,14H,1-3,10-11,13H2,(H,25,28)(H,26,27)

InChI Key

NYPSHRAYKWNLDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27252158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.58

Polar Surface Area

48.518

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L426-2726 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L426-2726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L426-2726?
Check Price and Availability of L426-2726, 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 L426-2726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L426-2726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L426-2726
  • 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 L426-2726 available by request