S593-0705 Screening compound: 5-(ethoxymethyl)-3-[1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

S593-0705 Screening compound: 5-(ethoxymethyl)-3-[1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
S593-0705 Screening compound: 5-(ethoxymethyl)-3-[1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-0705
5-(ethoxymethyl)-3-[1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

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

S593-0705

Molecular Formula

C14H17N3O3S (C14 H17 N3 O3 S)

Compound Name

5-(ethoxymethyl)-3-[1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

IUPAC name

5-(ethoxymethyl)-3-[1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-124-oxadiazole

SMILES

CCOCc1nc(C(CCC2)N2C(c2cscc2)=O)no1

InChI

InChI=1S/C14H17N3O3S/c1-2-19-8-12-15-13(16-20-12)11-4-3-6-17(11)14(18)10-5-7-21-9-10/h5,7,9,11H,2-4,6,8H2,1H3/t11-/m0/s1

InChI Key

POSBXTWLYLZNAX-NSHDSACASA-N

MDL Number (MFCD)

MFCD31963253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.810

Distribution Coefficient, logD

1.810

Water Solubility, LogSw

-2.19

Polar Surface Area

57.367

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S593-0705 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S593-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-0705?
Check Price and Availability of S593-0705, 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 S593-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-0705
  • 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 S593-0705 available by request