S592-0107 Screening compound: 1-(3-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}pyrrolidin-1-yl)-2-(3-methylphenoxy)ethan-1-one

S592-0107 Screening compound: 1-(3-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}pyrrolidin-1-yl)-2-(3-methylphenoxy)ethan-1-one
S592-0107 Screening compound: 1-(3-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}pyrrolidin-1-yl)-2-(3-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S592-0107
1-(3-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}pyrrolidin-1-yl)-2-(3-methylphenoxy)ethan-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

S592-0107

Molecular Formula

C19H25N3O5 (C19 H25 N3 O5)

Compound Name

1-(3-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}pyrrolidin-1-yl)-2-(3-methylphenoxy)ethan-1-one

IUPAC name

1-(3-{5-[(2-methoxyethoxy)methyl]-124-oxadiazol-3-yl}pyrrolidin-1-yl)-2-(3-methylphenoxy)ethan-1-one

SMILES

Cc1cccc(OCC(N(CC2)CC2c2noc(COCCOC)n2)=O)c1

InChI

InChI=1S/C19H25N3O5/c1-14-4-3-5-16(10-14)26-13-18(23)22-7-6-15(11-22)19-20-17(27-21-19)12-25-9-8-24-2/h3-5,10,15H,6-9,11-13H2,1-2H3/t15-/m1/s1

InChI Key

PJYNYSPQQZWFTC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31963244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.426

Distribution Coefficient, logD

1.426

Water Solubility, LogSw

-1.74

Polar Surface Area

72.196

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

S592-0107 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S592-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S592-0107?
Check Price and Availability of S592-0107, 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 S592-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S592-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S592-0107
  • 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 S592-0107 available by request