L948-1999 Screening compound: 1-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one

L948-1999 Screening compound: 1-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one
L948-1999 Screening compound: 1-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L948-1999
1-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)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

L948-1999

Molecular Formula

C21H20ClN3O3 (C21 H20 ClN3 O3)

Compound Name

1-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one

IUPAC name

1-{2-[3-(3-chlorophenyl)-124-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one

SMILES

Cc1cccc(OCC(N(CCC2)C2c2nc(-c3cccc(Cl)c3)no2)=O)c1

InChI

InChI=1S/C21H20ClN3O3/c1-14-5-2-8-17(11-14)27-13-19(26)25-10-4-9-18(25)21-23-20(24-28-21)15-6-3-7-16(22)12-15/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3/t18-/m0/s1

InChI Key

POGKQCNOODPVSV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27489087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.973

Distribution Coefficient, logD

4.973

Water Solubility, LogSw

-5.05

Polar Surface Area

55.324

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

L948-1999 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L948-1999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L948-1999?
Check Price and Availability of L948-1999, 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 L948-1999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L948-1999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L948-1999
  • 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 L948-1999 available by request