S644-1125 Screening compound: 2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[3-(propan-2-yloxy)propyl]acetamide

S644-1125 Screening compound: 2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[3-(propan-2-yloxy)propyl]acetamide
S644-1125 Screening compound: 2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[3-(propan-2-yloxy)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S644-1125
2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[3-(propan-2-yloxy)propyl]acetamide

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

S644-1125

Molecular Formula

C22H31FN2O4 (C22 H31 FN2 O4)

Compound Name

2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[3-(propan-2-yloxy)propyl]acetamide

IUPAC name

2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[3-(propan-2-yloxy)propyl]acetamide

SMILES

CC(C)OCCCNC(CN(C1(CCCCC1)C1Oc(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C22H31FN2O4/c1-16(2)28-14-6-13-24-19(26)15-25-21(27)20(22(25)11-4-3-5-12-22)29-18-9-7-17(23)8-10-18/h7-10,16,20H,3-6,11-15H2,1-2H3,(H,24,26)/t20-/m1/s1

InChI Key

OYFLBOKVJYYFCL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD31997383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.589

Distribution Coefficient, logD

2.589

Water Solubility, LogSw

-2.94

Polar Surface Area

54.166

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

S644-1125 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S644-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S644-1125?
Check Price and Availability of S644-1125, 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 S644-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S644-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S644-1125
  • 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 S644-1125 available by request