SA63-0851 Screening compound: N-(2-{9-[(2-ethylphenyl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}ethyl)methanesulfonamide

SA63-0851 Screening compound: N-(2-{9-[(2-ethylphenyl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}ethyl)methanesulfonamide
SA63-0851 Screening compound: N-(2-{9-[(2-ethylphenyl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}ethyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA63-0851
N-(2-{9-[(2-ethylphenyl)sulfonyl]-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

SA63-0851

Molecular Formula

C20H32N2O5S2 (C20 H32 N2 O5 S2)

Compound Name

N-(2-{9-[(2-ethylphenyl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}ethyl)methanesulfonamide

IUPAC name

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

SMILES

CCc(cccc1)c1S(N(CC1)CCC11OCCC(CCNS(C)(=O)=O)C1)(=O)=O

InChI

InChI=1S/C20H32N2O5S2/c1-3-18-6-4-5-7-19(18)29(25,26)22-13-10-20(11-14-22)16-17(9-15-27-20)8-12-21-28(2,23)24/h4-7,17,21H,3,8-16H2,1-2H3/t17-/m1/s1

InChI Key

NNGIMBWSDGHKJQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32238875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.871

Distribution Coefficient, logD

2.871

Water Solubility, LogSw

-3.37

Polar Surface Area

81.369

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

SA63-0851 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SA63-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA63-0851?
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What is the minimum amount of SA63-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA63-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA63-0851
  • 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 SA63-0851 available by request