S699-0346 Screening compound: N-methyl-N-(2-{5-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)cyclopropanecarboxamide

S699-0346 Screening compound: N-methyl-N-(2-{5-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)cyclopropanecarboxamide
S699-0346 Screening compound: N-methyl-N-(2-{5-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S699-0346
N-methyl-N-(2-{5-[1-(5-methylthiophene-2-carbonyl)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

S699-0346

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(N(C2)CC2c2nc(CCN(C)C(C3CC3)=O)no2)=O)s1

InChI

InChI=1S/C18H22N4O3S/c1-11-3-6-14(26-11)18(24)22-9-13(10-22)16-19-15(20-25-16)7-8-21(2)17(23)12-4-5-12/h3,6,12-13H,4-5,7-10H2,1-2H3

InChI Key

OCHNZIYBGRIGSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-2.65

Polar Surface Area

67.423

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S699-0346 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 S699-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S699-0346?
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What is the minimum amount of S699-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S699-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S699-0346
  • 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 S699-0346 available by request