L821-1549 Screening compound: N-[(5-{5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide

L821-1549 Screening compound: N-[(5-{5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide
L821-1549 Screening compound: N-[(5-{5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L821-1549
N-[(5-{5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide

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

L821-1549

Molecular Formula

C23H24N4O3S (C23 H24 N4 O3 S)

Compound Name

N-[(5-{5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide

IUPAC name

N-[(5-{5-[1-(34-dimethylphenyl)-5-oxopyrrolidin-3-yl]-124-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide

SMILES

Cc(cc1)c(C)cc1N(CC(C1)c2nc(-c3ccc(CNC(C4CC4)=O)s3)no2)C1=O

InChI

InChI=1S/C23H24N4O3S/c1-13-3-6-17(9-14(13)2)27-12-16(10-20(27)28)23-25-21(26-30-23)19-8-7-18(31-19)11-24-22(29)15-4-5-15/h3,6-9,15-16H,4-5,10-12H2,1-2H3,(H,24,29)/t16-/m0/s1

InChI Key

VVRSPCGKGLOTTG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27477397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.790

Distribution Coefficient, logD

4.790

Water Solubility, LogSw

-4.51

Polar Surface Area

74.349

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

L821-1549 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

SmartTM Library (51161 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L821-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L821-1549?
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What is the minimum amount of L821-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L821-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L821-1549
  • 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 L821-1549 available by request