SA58-0972 Screening compound: 2-(3-{2-[1-(butane-1-sulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

SA58-0972 Screening compound: 2-(3-{2-[1-(butane-1-sulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine
SA58-0972 Screening compound: 2-(3-{2-[1-(butane-1-sulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0972
2-(3-{2-[1-(butane-1-sulfonyl)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

SA58-0972

Molecular Formula

C17H24N4O3S (C17 H24 N4 O3 S)

Compound Name

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

IUPAC name

2-(3-{2-[1-(butane-1-sulfonyl)pyrrolidin-2-yl]ethyl}-124-oxadiazol-5-yl)pyridine

SMILES

CCCCS(N1C(CCc2noc(-c3ncccc3)n2)CCC1)(=O)=O

InChI

InChI=1S/C17H24N4O3S/c1-2-3-13-25(22,23)21-12-6-7-14(21)9-10-16-19-17(24-20-16)15-8-4-5-11-18-15/h4-5,8,11,14H,2-3,6-7,9-10,12-13H2,1H3/t14-/m1/s1

InChI Key

GZJKFUIFZTUMLN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31999253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-2.55

Polar Surface Area

74.348

Acid Dissociation Constant (pKa)

22.50

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

SA58-0972 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 SA58-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0972?
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What is the minimum amount of SA58-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0972
  • 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 SA58-0972 available by request