S595-0663 Screening compound: 2-{5-[(cyclopropylmethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidino (1-methyl-1H-imidazol-4-yl) sulfone

S595-0663 Screening compound: 2-{5-[(cyclopropylmethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidino (1-methyl-1H-imidazol-4-yl) sulfone
S595-0663 Screening compound: 2-{5-[(cyclopropylmethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidino (1-methyl-1H-imidazol-4-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S595-0663
2-{5-[(cyclopropylmethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidino (1-methyl-1H-imidazol-4-yl) sulfone

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

S595-0663

Molecular Formula

C16H23N5O4S (C16 H23 N5 O4 S)

Compound Name

2-{5-[(cyclopropylmethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidino (1-methyl-1H-imidazol-4-yl) sulfone

IUPAC name

n/a

SMILES

Cn1cnc(S(N(CCCC2)C2c2noc(COCC3CC3)n2)(=O)=O)c1

InChI

InChI=1S/C16H23N5O4S/c1-20-8-15(17-11-20)26(22,23)21-7-3-2-4-13(21)16-18-14(25-19-16)10-24-9-12-5-6-12/h8,11-13H,2-7,9-10H2,1H3/t13-/m0/s1

InChI Key

SWUDQUGSHFLIEJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29017845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.371

Distribution Coefficient, logD

1.371

Water Solubility, LogSw

-1.72

Polar Surface Area

84.860

Acid Dissociation Constant (pKa)

25.31

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S595-0663 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS MPO Library (28609 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S595-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S595-0663?
Check Price and Availability of S595-0663, 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 S595-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S595-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S595-0663
  • 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 S595-0663 available by request