L697-0539 Screening compound: 1-(3,4-dimethylphenyl)-4-(3-{[4-(piperidine-1-sulfonyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

L697-0539 Screening compound: 1-(3,4-dimethylphenyl)-4-(3-{[4-(piperidine-1-sulfonyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
L697-0539 Screening compound: 1-(3,4-dimethylphenyl)-4-(3-{[4-(piperidine-1-sulfonyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L697-0539
1-(3,4-dimethylphenyl)-4-(3-{[4-(piperidine-1-sulfonyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-2-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

L697-0539

Molecular Formula

C23H28N6O4S (C23 H28 N6 O4 S)

Compound Name

1-(3,4-dimethylphenyl)-4-(3-{[4-(piperidine-1-sulfonyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

IUPAC name

1-(34-dimethylphenyl)-4-(3-{[4-(piperidine-1-sulfonyl)-1H-imidazol-1-yl]methyl}-124-oxadiazol-5-yl)pyrrolidin-2-one

SMILES

Cc(cc1)c(C)cc1N(CC(C1)c2nc(Cn3cnc(S(N4CCCCC4)(=O)=O)c3)no2)C1=O

InChI

InChI=1S/C23H28N6O4S/c1-16-6-7-19(10-17(16)2)29-12-18(11-22(29)30)23-25-20(26-33-23)13-27-14-21(24-15-27)34(31,32)28-8-4-3-5-9-28/h6-7,10,14-15,18H,3-5,8-9,11-13H2,1-2H3/t18-/m0/s1

InChI Key

ZPZIYRHHDHRHMF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27470580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-2.98

Polar Surface Area

93.205

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

L697-0539 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L697-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L697-0539?
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What is the minimum amount of L697-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L697-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L697-0539
  • 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 L697-0539 available by request