S595-0063 Screening compound: 2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine

S595-0063 Screening compound: 2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
S595-0063 Screening compound: 2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S595-0063
2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]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

S595-0063

Molecular Formula

C15H23N5O5S (C15 H23 N5 O5 S)

Compound Name

2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine

IUPAC name

2-{5-[(2-methoxyethoxy)methyl]-124-oxadiazol-3-yl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine

SMILES

Cn1cnc(S(N(CCCC2)C2c2noc(COCCOC)n2)(=O)=O)c1

InChI

InChI=1S/C15H23N5O5S/c1-19-9-14(16-11-19)26(21,22)20-6-4-3-5-12(20)15-17-13(25-18-15)10-24-8-7-23-2/h9,11-12H,3-8,10H2,1-2H3/t12-/m0/s1

InChI Key

HUOIKJCUAMTDFT-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD31975670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.097

Distribution Coefficient, logD

-0.097

Water Solubility, LogSw

-1.28

Polar Surface Area

92.870

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S595-0063 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S595-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S595-0063?
Check Price and Availability of S595-0063, 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 S595-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S595-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S595-0063
  • 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 S595-0063 available by request