SA63-0758 Screening compound: N-(2-{9-[3-(4-methoxyphenyl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}ethyl)methanesulfonamide

SA63-0758 Screening compound: N-(2-{9-[3-(4-methoxyphenyl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}ethyl)methanesulfonamide
SA63-0758 Screening compound: N-(2-{9-[3-(4-methoxyphenyl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}ethyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA63-0758
N-(2-{9-[3-(4-methoxyphenyl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}ethyl)methanesulfonamide

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

SA63-0758

Molecular Formula

C22H34N2O5S (C22 H34 N2 O5 S)

Compound Name

N-(2-{9-[3-(4-methoxyphenyl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}ethyl)methanesulfonamide

IUPAC name

N-(2-{9-[3-(4-methoxyphenyl)propanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}ethyl)methanesulfonamide

SMILES

COc1ccc(CCC(N(CC2)CCC22OCCC(CCNS(C)(=O)=O)C2)=O)cc1

InChI

InChI=1S/C22H34N2O5S/c1-28-20-6-3-18(4-7-20)5-8-21(25)24-14-11-22(12-15-24)17-19(10-16-29-22)9-13-23-30(2,26)27/h3-4,6-7,19,23H,5,8-17H2,1-2H3/t19-/m0/s1

InChI Key

HDKLZTHWMJBEDV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32238702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.259

Distribution Coefficient, logD

2.259

Water Solubility, LogSw

-2.78

Polar Surface Area

73.322

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SA63-0758 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA63-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA63-0758?
Check Price and Availability of SA63-0758, 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 SA63-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA63-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA63-0758
  • 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 SA63-0758 available by request