L505-2598 Screening compound: 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-[(2-methylphenyl)methyl]acetamide

L505-2598 Screening compound: 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
L505-2598 Screening compound: 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-[(2-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L505-2598
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-[(2-methylphenyl)methyl]acetamide

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

L505-2598

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-[(2-methylphenyl)methyl]acetamide

IUPAC name

2-[2-(5-cyclobutyl-134-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-[(2-methylphenyl)methyl]acetamide

SMILES

Cc1c(CNC(Cn2c(-c3nnc(C4CCC4)o3)ccc2)=O)cccc1

InChI

InChI=1S/C20H22N4O2/c1-14-6-2-3-7-16(14)12-21-18(25)13-24-11-5-10-17(24)20-23-22-19(26-20)15-8-4-9-15/h2-3,5-7,10-11,15H,4,8-9,12-13H2,1H3,(H,21,25)

InChI Key

AMFKQIRGTGWEDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27459241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.512

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.29

Polar Surface Area

57.067

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L505-2598 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L505-2598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L505-2598?
Check Price and Availability of L505-2598, 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 L505-2598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L505-2598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L505-2598
  • 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 L505-2598 available by request