S593-1109 Screening compound: {3-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol

S593-1109 Screening compound: {3-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol
S593-1109 Screening compound: {3-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-1109
{3-[1-(2,1,3-benzothiadiazole-4-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

S593-1109

Molecular Formula

C13H13N5O4S2 (C13 H13 N5 O4 S2)

Compound Name

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

IUPAC name

{3-[1-(213-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl]-124-oxadiazol-5-yl}methanol

SMILES

OCc1nc(C(CCC2)N2S(c2cccc3nsnc23)(=O)=O)no1

InChI

InChI=1S/C13H13N5O4S2/c19-7-11-14-13(15-22-11)9-4-2-6-18(9)24(20,21)10-5-1-3-8-12(10)17-23-16-8/h1,3,5,9,19H,2,4,6-7H2/t9-/m0/s1

InChI Key

CEYNOXCHCXBOIM-VIFPVBQESA-N

MDL Number (MFCD)

MFCD31963389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.081

Distribution Coefficient, logD

1.081

Water Solubility, LogSw

-1.92

Polar Surface Area

102.197

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

S593-1109 in Drug Discovery

Included in Screening Libraries

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 S593-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-1109?
Check Price and Availability of S593-1109, 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 S593-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-1109
  • 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 S593-1109 available by request