S593-1151 Screening compound: {3-[1-(quinoline-8-sulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol

S593-1151 Screening compound: {3-[1-(quinoline-8-sulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol
S593-1151 Screening compound: {3-[1-(quinoline-8-sulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-1151
{3-[1-(quinoline-8-sulfonyl)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

S593-1151

Molecular Formula

C16H16N4O4S (C16 H16 N4 O4 S)

Compound Name

{3-[1-(quinoline-8-sulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol

IUPAC name

{3-[1-(quinoline-8-sulfonyl)pyrrolidin-2-yl]-124-oxadiazol-5-yl}methanol

SMILES

OCc1nc(C(CCC2)N2S(c2cccc3cccnc23)(=O)=O)no1

InChI

InChI=1S/C16H16N4O4S/c21-10-14-18-16(19-24-14)12-6-3-9-20(12)25(22,23)13-7-1-4-11-5-2-8-17-15(11)13/h1-2,4-5,7-8,12,21H,3,6,9-10H2/t12-/m0/s1

InChI Key

XGUDKMIYZMHRQP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD31963450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.886

Distribution Coefficient, logD

0.886

Water Solubility, LogSw

-1.89

Polar Surface Area

90.778

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

S593-1151 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S593-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-1151?
Check Price and Availability of S593-1151, 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 S593-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-1151
  • 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 S593-1151 available by request