S699-0560 Screening compound: N-(2-{5-[1-(4-cyanobenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide

S699-0560 Screening compound: N-(2-{5-[1-(4-cyanobenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide
S699-0560 Screening compound: N-(2-{5-[1-(4-cyanobenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S699-0560
N-(2-{5-[1-(4-cyanobenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide

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

S699-0560

Molecular Formula

C19H21N5O4S (C19 H21 N5 O4 S)

Compound Name

N-(2-{5-[1-(4-cyanobenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide

IUPAC name

N-(2-{5-[1-(4-cyanobenzenesulfonyl)azetidin-3-yl]-124-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide

SMILES

CN(CCc1noc(C(C2)CN2S(c(cc2)ccc2C#N)(=O)=O)n1)C(C1CC1)=O

InChI

InChI=1S/C19H21N5O4S/c1-23(19(25)14-4-5-14)9-8-17-21-18(28-22-17)15-11-24(12-15)29(26,27)16-6-2-13(10-20)3-7-16/h2-3,6-7,14-15H,4-5,8-9,11-12H2,1H3

InChI Key

LYYWAZGNOZIWIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.702

Distribution Coefficient, logD

1.702

Water Solubility, LogSw

-2.51

Polar Surface Area

98.523

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

S699-0560 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S699-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S699-0560?
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What is the minimum amount of S699-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S699-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S699-0560
  • 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 S699-0560 available by request