SA46-1442 Screening compound: 2-(4-fluorobenzenesulfonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SA46-1442 Screening compound: 2-(4-fluorobenzenesulfonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane
SA46-1442 Screening compound: 2-(4-fluorobenzenesulfonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-1442
2-(4-fluorobenzenesulfonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

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

SA46-1442

Molecular Formula

C17H24FN3O3S (C17 H24 FN3 O3 S)

Compound Name

2-(4-fluorobenzenesulfonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

IUPAC name

2-(4-fluorobenzenesulfonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SMILES

CN(CC1)CCN1C1COC(C2)(CN2S(c(cc2)ccc2F)(=O)=O)C1

InChI

InChI=1S/C17H24FN3O3S/c1-19-6-8-20(9-7-19)15-10-17(24-11-15)12-21(13-17)25(22,23)16-4-2-14(18)3-5-16/h2-5,15H,6-13H2,1H3/t15-/m1/s1

InChI Key

SVFFUYTWNLIUMX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32236398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.124

Distribution Coefficient, logD

0.485

Water Solubility, LogSw

-2.48

Polar Surface Area

46.183

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

SA46-1442 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA46-1442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-1442?
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What is the minimum amount of SA46-1442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-1442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-1442
  • 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 SA46-1442 available by request