S429-0077 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-[4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

S429-0077 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-[4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
S429-0077 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-[4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-0077
3-(1H-1,3-benzodiazol-2-yl)-1-[4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

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

S429-0077

Molecular Formula

C19H23N5O2 (C19 H23 N5 O2)

Compound Name

3-(1H-1,3-benzodiazol-2-yl)-1-[4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

IUPAC name

3-(1H-13-benzodiazol-2-yl)-1-[4-methyl-4-(5-methyl-124-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

SMILES

CC(CC1)(CCN1C(CCc1nc(cccc2)c2[nH]1)=O)c1noc(C)n1

InChI

InChI=1S/C19H23N5O2/c1-13-20-18(23-26-13)19(2)9-11-24(12-10-19)17(25)8-7-16-21-14-5-3-4-6-15(14)22-16/h3-6H,7-12H2,1-2H3,(H,21,22)

InChI Key

DDYLHWFMVNBYEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.172

Water Solubility, LogSw

-2.47

Polar Surface Area

67.546

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

S429-0077 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 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)

Ion Channels Focused Library (26372 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S429-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-0077?
Check Price and Availability of S429-0077, 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 S429-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-0077
  • 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 S429-0077 available by request