SA46-1112 Screening compound: 2-(5-chloro-2-methoxybenzoyl)-7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SA46-1112 Screening compound: 2-(5-chloro-2-methoxybenzoyl)-7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octane
SA46-1112 Screening compound: 2-(5-chloro-2-methoxybenzoyl)-7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-1112
2-(5-chloro-2-methoxybenzoyl)-7-(pyrrolidin-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

SA46-1112

Molecular Formula

C18H23ClN2O3 (C18 H23 ClN2 O3)

Compound Name

2-(5-chloro-2-methoxybenzoyl)-7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

IUPAC name

2-(5-chloro-2-methoxybenzoyl)-7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SMILES

COc(ccc(Cl)c1)c1C(N(C1)CC1(C1)OCC1N1CCCC1)=O

InChI

InChI=1S/C18H23ClN2O3/c1-23-16-5-4-13(19)8-15(16)17(22)21-11-18(12-21)9-14(10-24-18)20-6-2-3-7-20/h4-5,8,14H,2-3,6-7,9-12H2,1H3/t14-/m1/s1

InChI Key

PDAFESZDSVCHQB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32237046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.151

Distribution Coefficient, logD

0.896

Water Solubility, LogSw

-3.12

Polar Surface Area

35.640

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SA46-1112 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SA46-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-1112?
Check Price and Availability of SA46-1112, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA46-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-1112
  • 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 SA46-1112 available by request