SA57-0546 Screening compound: 9-(5-bromopyridine-3-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane

SA57-0546 Screening compound: 9-(5-bromopyridine-3-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane
SA57-0546 Screening compound: 9-(5-bromopyridine-3-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA57-0546
9-(5-bromopyridine-3-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane

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

SA57-0546

Molecular Formula

C21H24BrN3O3 (C21 H24 BrN3 O3)

Compound Name

9-(5-bromopyridine-3-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

9-(5-bromopyridine-3-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane

SMILES

Cc1cc(OC2CC(CC3)(CCN3C(c3cc(Br)cnc3)=O)OCC2)ncc1

InChI

InChI=1S/C21H24BrN3O3/c1-15-2-6-24-19(10-15)28-18-3-9-27-21(12-18)4-7-25(8-5-21)20(26)16-11-17(22)14-23-13-16/h2,6,10-11,13-14,18H,3-5,7-9,12H2,1H3/t18-/m1/s1

InChI Key

LPOIBYZOWUGJEJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32000122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-2.71

Polar Surface Area

48.306

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

SA57-0546 in Drug Discovery

Included in Screening Libraries

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 SA57-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA57-0546?
Check Price and Availability of SA57-0546, 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 SA57-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA57-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA57-0546
  • 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 SA57-0546 available by request