S593-1103 Screening compound: {3-[1-(2,5-DIMETHOXYBENZENESULFONYL)PYRROLIDIN-2-YL]-1,2,4-OXADIAZOL-5-YL}METHANOL

S593-1103 Screening compound: {3-[1-(2,5-DIMETHOXYBENZENESULFONYL)PYRROLIDIN-2-YL]-1,2,4-OXADIAZOL-5-YL}METHANOL
S593-1103 Screening compound: {3-[1-(2,5-DIMETHOXYBENZENESULFONYL)PYRROLIDIN-2-YL]-1,2,4-OXADIAZOL-5-YL}METHANOL alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-1103
{3-[1-(2,5-DIMETHOXYBENZENESULFONYL)PYRROLIDIN-2-YL]-1,2,4-OXADIAZOL-5-YL}METHANOL

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

S593-1103

Molecular Formula

C15H19N3O6S (C15 H19 N3 O6 S)

Compound Name

{3-[1-(2,5-DIMETHOXYBENZENESULFONYL)PYRROLIDIN-2-YL]-1,2,4-OXADIAZOL-5-YL}METHANOL

IUPAC name

{3-[1-(25-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-124-oxadiazol-5-yl}methanol

SMILES

COc(cc1)cc(S(N(CCC2)C2c2noc(CO)n2)(=O)=O)c1OC

InChI

InChI=1S/C15H19N3O6S/c1-22-10-5-6-12(23-2)13(8-10)25(20,21)18-7-3-4-11(18)15-16-14(9-19)24-17-15/h5-6,8,11,19H,3-4,7,9H2,1-2H3/t11-/m0/s1

InChI Key

RFCMSBDRZBZXAL-NSHDSACASA-N

MDL Number (MFCD)

MFCD31989885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.983

Distribution Coefficient, logD

0.983

Water Solubility, LogSw

-2.18

Polar Surface Area

96.419

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S593-1103 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S593-1103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-1103?
Check Price and Availability of S593-1103, 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 S593-1103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-1103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-1103
  • 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 S593-1103 available by request