S699-0466 Screening compound: N-methyl-N-[2-(5-{1-[(3-methylthiophen-2-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]cyclopropanecarboxamide

S699-0466 Screening compound: N-methyl-N-[2-(5-{1-[(3-methylthiophen-2-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]cyclopropanecarboxamide
S699-0466 Screening compound: N-methyl-N-[2-(5-{1-[(3-methylthiophen-2-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S699-0466
N-methyl-N-[2-(5-{1-[(3-methylthiophen-2-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]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

S699-0466

Molecular Formula

C18H24N4O2S (C18 H24 N4 O2 S)

Compound Name

N-methyl-N-[2-(5-{1-[(3-methylthiophen-2-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]cyclopropanecarboxamide

IUPAC name

N-methyl-N-[2-(5-{1-[(3-methylthiophen-2-yl)methyl]azetidin-3-yl}-124-oxadiazol-3-yl)ethyl]cyclopropanecarboxamide

SMILES

Cc1c(CN(C2)CC2c2nc(CCN(C)C(C3CC3)=O)no2)scc1

InChI

InChI=1S/C18H24N4O2S/c1-12-6-8-25-15(12)11-22-9-14(10-22)17-19-16(20-24-17)5-7-21(2)18(23)13-3-4-13/h6,8,13-14H,3-5,7,9-11H2,1-2H3

InChI Key

ADUWRQUEIFHCOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

0.808

Water Solubility, LogSw

-2.60

Polar Surface Area

54.507

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

9.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S699-0466 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S699-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S699-0466?
Check Price and Availability of S699-0466, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S699-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S699-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S699-0466
  • 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 S699-0466 available by request