SA64-0678 Screening compound: N-{[9-(5-bromopyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide

SA64-0678 Screening compound: N-{[9-(5-bromopyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide
SA64-0678 Screening compound: N-{[9-(5-bromopyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-0678
N-{[9-(5-bromopyridine-3-carbonyl)-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

SA64-0678

Molecular Formula

C17H24BrN3O4S (C17 H24 BrN3 O4 S)

Compound Name

N-{[9-(5-bromopyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide

IUPAC name

N-{[9-(5-bromopyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide

SMILES

CS(NCC1CC(CC2)(CCN2C(c2cc(Br)cnc2)=O)OCC1)(=O)=O

InChI

InChI=1S/C17H24BrN3O4S/c1-26(23,24)20-10-13-2-7-25-17(9-13)3-5-21(6-4-17)16(22)14-8-15(18)12-19-11-14/h8,11-13,20H,2-7,9-10H2,1H3/t13-/m1/s1

InChI Key

AWBOEXTXUGIPEC-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32001606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.410

Distribution Coefficient, logD

1.410

Water Solubility, LogSw

-2.14

Polar Surface Area

76.072

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

SA64-0678 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA64-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-0678?
Check Price and Availability of SA64-0678, 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 SA64-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-0678
  • 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 SA64-0678 available by request