SA58-0919 Screening compound: 2-(3-{2-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

SA58-0919 Screening compound: 2-(3-{2-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine
SA58-0919 Screening compound: 2-(3-{2-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0919
2-(3-{2-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

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

SA58-0919

Molecular Formula

C20H21FN4O3S (C20 H21 FN4 O3 S)

Compound Name

2-(3-{2-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

IUPAC name

2-(3-{2-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-2-yl]ethyl}-124-oxadiazol-5-yl)pyridine

SMILES

Cc(cc(cc1)S(N2C(CCc3noc(-c4ncccc4)n3)CCC2)(=O)=O)c1F

InChI

InChI=1S/C20H21FN4O3S/c1-14-13-16(8-9-17(14)21)29(26,27)25-12-4-5-15(25)7-10-19-23-20(28-24-19)18-6-2-3-11-22-18/h2-3,6,8-9,11,13,15H,4-5,7,10,12H2,1H3/t15-/m1/s1

InChI Key

IDDBMCRKJOLPLP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31998990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.63

Polar Surface Area

74.183

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

SA58-0919 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA58-0919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0919?
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What is the minimum amount of SA58-0919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0919
  • 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 SA58-0919 available by request