L948-0561 Screening compound: N-(3-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-oxopropyl)-4-methylbenzene-1-sulfonamide

L948-0561 Screening compound: N-(3-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-oxopropyl)-4-methylbenzene-1-sulfonamide
L948-0561 Screening compound: N-(3-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-oxopropyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L948-0561
N-(3-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-oxopropyl)-4-methylbenzene-1-sulfonamide

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

L948-0561

Molecular Formula

C22H23ClN4O4S (C22 H23 ClN4 O4 S)

Compound Name

N-(3-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-oxopropyl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-(3-{2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]pyrrolidin-1-yl}-3-oxopropyl)-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCCC(N(CCC1)C1c1nc(-c(cc2)ccc2Cl)no1)=O)(=O)=O

InChI

InChI=1S/C22H23ClN4O4S/c1-15-4-10-18(11-5-15)32(29,30)24-13-12-20(28)27-14-2-3-19(27)22-25-21(26-31-22)16-6-8-17(23)9-7-16/h4-11,19,24H,2-3,12-14H2,1H3/t19-/m0/s1

InChI Key

AAHGALLCPRJTOP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27489004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.67

Polar Surface Area

89.696

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

L948-0561 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L948-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L948-0561?
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What is the minimum amount of L948-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L948-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L948-0561
  • 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 L948-0561 available by request