SA64-0578 Screening compound: N-{[9-(1-phenylcyclopentanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide

SA64-0578 Screening compound: N-{[9-(1-phenylcyclopentanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide
SA64-0578 Screening compound: N-{[9-(1-phenylcyclopentanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-0578
N-{[9-(1-phenylcyclopentanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}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

SA64-0578

Molecular Formula

C23H34N2O4S (C23 H34 N2 O4 S)

Compound Name

N-{[9-(1-phenylcyclopentanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide

IUPAC name

N-{[9-(1-phenylcyclopentanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide

SMILES

CS(NCC1CC(CC2)(CCN2C(C2(CCCC2)c2ccccc2)=O)OCC1)(=O)=O

InChI

InChI=1S/C23H34N2O4S/c1-30(27,28)24-18-19-9-16-29-22(17-19)12-14-25(15-13-22)21(26)23(10-5-6-11-23)20-7-3-2-4-8-20/h2-4,7-8,19,24H,5-6,9-18H2,1H3/t19-/m0/s1

InChI Key

OMEDWWQRZSAREW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32001030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.31

Polar Surface Area

66.751

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.57

SA64-0578 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA64-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-0578?
Check Price and Availability of SA64-0578, 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 SA64-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-0578
  • 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 SA64-0578 available by request