S644-0102 Screening compound: 2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[2-(morpholin-4-yl)ethyl]acetamide

S644-0102 Screening compound: 2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[2-(morpholin-4-yl)ethyl]acetamide
S644-0102 Screening compound: 2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[2-(morpholin-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S644-0102
2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[2-(morpholin-4-yl)ethyl]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

S644-0102

Molecular Formula

C22H30FN3O4 (C22 H30 FN3 O4)

Compound Name

2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[2-(morpholin-4-yl)ethyl]acetamide

IUPAC name

2-[3-(4-fluorophenoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-[2-(morpholin-4-yl)ethyl]acetamide

SMILES

O=C(CN(C1(CCCCC1)C1Oc(cc2)ccc2F)C1=O)NCCN1CCOCC1

InChI

InChI=1S/C22H30FN3O4/c23-17-4-6-18(7-5-17)30-20-21(28)26(22(20)8-2-1-3-9-22)16-19(27)24-10-11-25-12-14-29-15-13-25/h4-7,20H,1-3,8-16H2,(H,24,27)/t20-/m1/s1

InChI Key

ZQKLFLYKDKMLLH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD31997016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.495

Distribution Coefficient, logD

1.448

Water Solubility, LogSw

-2.21

Polar Surface Area

58.584

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

S644-0102 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S644-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S644-0102?
Check Price and Availability of S644-0102, 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 S644-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S644-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S644-0102
  • 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 S644-0102 available by request