S614-0029 Screening compound: 2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-(3-methylbenzoyl)piperidine

S614-0029 Screening compound: 2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-(3-methylbenzoyl)piperidine
S614-0029 Screening compound: 2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-(3-methylbenzoyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0029
2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-(3-methylbenzoyl)piperidine

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

S614-0029

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-(3-methylbenzoyl)piperidine

IUPAC name

2-{3-[2-(benzyloxy)ethyl]-124-oxadiazol-5-yl}-1-(3-methylbenzoyl)piperidine

SMILES

Cc1cccc(C(N(CCCC2)C2c2nc(CCOCc3ccccc3)no2)=O)c1

InChI

InChI=1S/C24H27N3O3/c1-18-8-7-11-20(16-18)24(28)27-14-6-5-12-21(27)23-25-22(26-30-23)13-15-29-17-19-9-3-2-4-10-19/h2-4,7-11,16,21H,5-6,12-15,17H2,1H3/t21-/m0/s1

InChI Key

IBUMOZOEQPURCK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31974095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

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

4.210

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.33

Polar Surface Area

57.330

Acid Dissociation Constant (pKa)

26.45

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S614-0029 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S614-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0029?
Check Price and Availability of S614-0029, 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 S614-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0029
  • 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 S614-0029 available by request