L948-3123 Screening compound: 1-{2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(pyridin-4-ylsulfanyl)ethan-1-one

L948-3123 Screening compound: 1-{2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(pyridin-4-ylsulfanyl)ethan-1-one
L948-3123 Screening compound: 1-{2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(pyridin-4-ylsulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L948-3123
1-{2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(pyridin-4-ylsulfanyl)ethan-1-one

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

L948-3123

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

1-{2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(pyridin-4-ylsulfanyl)ethan-1-one

IUPAC name

1-{2-[3-(2-methoxyphenyl)-124-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(pyridin-4-ylsulfanyl)ethan-1-one

SMILES

COc(cccc1)c1-c1noc(C(CCC2)N2C(CSc2ccncc2)=O)n1

InChI

InChI=1S/C20H20N4O3S/c1-26-17-7-3-2-5-15(17)19-22-20(27-23-19)16-6-4-12-24(16)18(25)13-28-14-8-10-21-11-9-14/h2-3,5,7-11,16H,4,6,12-13H2,1H3/t16-/m0/s1

InChI Key

CZQKEDDXZVAHIG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27489166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

2.500

Water Solubility, LogSw

-2.67

Polar Surface Area

64.884

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

L948-3123 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)

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 L948-3123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L948-3123?
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What is the minimum amount of L948-3123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L948-3123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L948-3123
  • 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 L948-3123 available by request