SA58-0713 Screening compound: 4-(3-{2-[1-(2,4-difluorobenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

SA58-0713 Screening compound: 4-(3-{2-[1-(2,4-difluorobenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine
SA58-0713 Screening compound: 4-(3-{2-[1-(2,4-difluorobenzenesulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0713
4-(3-{2-[1-(2,4-difluorobenzenesulfonyl)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

SA58-0713

Molecular Formula

C19H18F2N4O3S (C19 H18 F2 N4 O3 S)

Compound Name

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

IUPAC name

4-(3-{2-[1-(24-difluorobenzenesulfonyl)pyrrolidin-2-yl]ethyl}-124-oxadiazol-5-yl)pyridine

SMILES

O=S(c(ccc(F)c1)c1F)(N1C(CCc2noc(-c3ccncc3)n2)CCC1)=O

InChI

InChI=1S/C19H18F2N4O3S/c20-14-3-5-17(16(21)12-14)29(26,27)25-11-1-2-15(25)4-6-18-23-19(28-24-18)13-7-9-22-10-8-13/h3,5,7-10,12,15H,1-2,4,6,11H2/t15-/m1/s1

InChI Key

QRRKOETZFQDABJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31999888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

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

2.843

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-3.11

Polar Surface Area

74.563

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

SA58-0713 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SA58-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0713?
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What is the minimum amount of SA58-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0713
  • 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 SA58-0713 available by request