S593-1112 Screening compound: {3-[1-(2,3-dihydro-1H-indene-5-sulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol

S593-1112 Screening compound: {3-[1-(2,3-dihydro-1H-indene-5-sulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol
S593-1112 Screening compound: {3-[1-(2,3-dihydro-1H-indene-5-sulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-1112
{3-[1-(2,3-dihydro-1H-indene-5-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

S593-1112

Molecular Formula

C16H19N3O4S (C16 H19 N3 O4 S)

Compound Name

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

IUPAC name

{3-[1-(23-dihydro-1H-indene-5-sulfonyl)pyrrolidin-2-yl]-124-oxadiazol-5-yl}methanol

SMILES

OCc1nc(C(CCC2)N2S(c2cc(CCC3)c3cc2)(=O)=O)no1

InChI

InChI=1S/C16H19N3O4S/c20-10-15-17-16(18-23-15)14-5-2-8-19(14)24(21,22)13-7-6-11-3-1-4-12(11)9-13/h6-7,9,14,20H,1-5,8,10H2/t14-/m0/s1

InChI Key

NWVIXSAOECGELO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31963390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

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

2.070

Distribution Coefficient, logD

2.070

Water Solubility, LogSw

-2.50

Polar Surface Area

81.531

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S593-1112 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 S593-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-1112?
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What is the minimum amount of S593-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-1112
  • 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 S593-1112 available by request