SA46-2113 Screening compound: 7-(pyrrolidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octane

SA46-2113 Screening compound: 7-(pyrrolidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octane
SA46-2113 Screening compound: 7-(pyrrolidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-2113
7-(pyrrolidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-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

SA46-2113

Molecular Formula

C20H28N2O3S (C20 H28 N2 O3 S)

Compound Name

7-(pyrrolidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octane

IUPAC name

7-(pyrrolidin-1-yl)-2-(5678-tetrahydronaphthalene-2-sulfonyl)-5-oxa-2-azaspiro[3.4]octane

SMILES

O=S(c1cc(CCCC2)c2cc1)(N(C1)CC1(C1)OCC1N1CCCC1)=O

InChI

InChI=1S/C20H28N2O3S/c23-26(24,19-8-7-16-5-1-2-6-17(16)11-19)22-14-20(15-22)12-18(13-25-20)21-9-3-4-10-21/h7-8,11,18H,1-6,9-10,12-15H2/t18-/m1/s1

InChI Key

VQXMMNFUDIVRNK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32236406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.079

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-3.30

Polar Surface Area

42.993

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

SA46-2113 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SA46-2113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-2113?
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What is the minimum amount of SA46-2113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-2113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-2113
  • 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 SA46-2113 available by request