L948-2858 Screening compound: 5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

L948-2858 Screening compound: 5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
L948-2858 Screening compound: 5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L948-2858
5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

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

L948-2858

Molecular Formula

C21H19N3O5 (C21 H19 N3 O5)

Compound Name

5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-[1-(2H-13-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-124-oxadiazole

SMILES

COc(cc1)ccc1-c1noc(C(CCC2)N2C(c(cc2)cc3c2OCO3)=O)n1

InChI

InChI=1S/C21H19N3O5/c1-26-15-7-4-13(5-8-15)19-22-20(29-23-19)16-3-2-10-24(16)21(25)14-6-9-17-18(11-14)28-12-27-17/h4-9,11,16H,2-3,10,12H2,1H3/t16-/m0/s1

InChI Key

BPBQPGUUUHJPPQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14366311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.99

Polar Surface Area

73.012

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

-6.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

L948-2858 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L948-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L948-2858?
Check Price and Availability of L948-2858, 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 L948-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L948-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L948-2858
  • 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 L948-2858 available by request