S593-1100 Screening compound: {3-[1-(3-fluorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol

S593-1100 Screening compound: {3-[1-(3-fluorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol
S593-1100 Screening compound: {3-[1-(3-fluorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-1100
{3-[1-(3-fluorobenzenesulfonyl)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

S593-1100

Molecular Formula

C13H14FN3O4S (C13 H14 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

OCc1nc(C(CCC2)N2S(c2cc(F)ccc2)(=O)=O)no1

InChI

InChI=1S/C13H14FN3O4S/c14-9-3-1-4-10(7-9)22(19,20)17-6-2-5-11(17)13-15-12(8-18)21-16-13/h1,3-4,7,11,18H,2,5-6,8H2/t11-/m0/s1

InChI Key

ORZKIENZEHNBFD-NSHDSACASA-N

MDL Number (MFCD)

MFCD31989884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.219

Distribution Coefficient, logD

1.219

Water Solubility, LogSw

-2.19

Polar Surface Area

81.244

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

S593-1100 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S593-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-1100?
Check Price and Availability of S593-1100, 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 S593-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-1100
  • 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 S593-1100 available by request