S699-0590 Screening compound: N-[2-(5-{1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylcyclopropanecarboxamide

S699-0590 Screening compound: N-[2-(5-{1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylcyclopropanecarboxamide
S699-0590 Screening compound: N-[2-(5-{1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylcyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S699-0590
N-[2-(5-{1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]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

S699-0590

Molecular Formula

C18H26N6O2 (C18 H26 N6 O2)

Compound Name

N-[2-(5-{1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylcyclopropanecarboxamide

IUPAC name

N-[2-(5-{1-[(13-dimethyl-1H-pyrazol-5-yl)methyl]azetidin-3-yl}-124-oxadiazol-3-yl)ethyl]-N-methylcyclopropanecarboxamide

SMILES

Cc1nn(C)c(CN(C2)CC2c2nc(CCN(C)C(C3CC3)=O)no2)c1

InChI

InChI=1S/C18H26N6O2/c1-12-8-15(23(3)20-12)11-24-9-14(10-24)17-19-16(21-26-17)6-7-22(2)18(25)13-4-5-13/h8,13-14H,4-7,9-11H2,1-3H3

InChI Key

LDUSURUYKKWQHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.660

Distribution Coefficient, logD

-2.412

Water Solubility, LogSw

-0.80

Polar Surface Area

67.292

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

10.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S699-0590 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S699-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S699-0590?
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What is the minimum amount of S699-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S699-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S699-0590
  • 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 S699-0590 available by request