L697-0587 Screening compound: 1-[(1-{[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1H-imidazol-4-yl)sulfonyl]piperidine

L697-0587 Screening compound: 1-[(1-{[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1H-imidazol-4-yl)sulfonyl]piperidine
L697-0587 Screening compound: 1-[(1-{[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1H-imidazol-4-yl)sulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L697-0587
1-[(1-{[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1H-imidazol-4-yl)sulfonyl]piperidine

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

L697-0587

Molecular Formula

C18H19N5O5S (C18 H19 N5 O5 S)

Compound Name

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

IUPAC name

1-[(1-{[5-(2H-13-benzodioxol-5-yl)-124-oxadiazol-3-yl]methyl}-1H-imidazol-4-yl)sulfonyl]piperidine

SMILES

O=S(c1cn(Cc2noc(-c(cc3)cc4c3OCO4)n2)cn1)(N1CCCCC1)=O

InChI

InChI=1S/C18H19N5O5S/c24-29(25,23-6-2-1-3-7-23)17-10-22(11-19-17)9-16-20-18(28-21-16)13-4-5-14-15(8-13)27-12-26-14/h4-5,8,10-11H,1-3,6-7,9,12H2

InChI Key

JIDOPJNKKSMRIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.071

Distribution Coefficient, logD

2.071

Water Solubility, LogSw

-2.66

Polar Surface Area

93.571

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

L697-0587 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L697-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L697-0587?
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What is the minimum amount of L697-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L697-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L697-0587
  • 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 L697-0587 available by request