S664-4945 Screening compound: 2-(3-chloro-4-methoxyphenyl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

S664-4945 Screening compound: 2-(3-chloro-4-methoxyphenyl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one
S664-4945 Screening compound: 2-(3-chloro-4-methoxyphenyl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-4945
2-(3-chloro-4-methoxyphenyl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

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

S664-4945

Molecular Formula

C17H22ClNO3 (C17 H22 ClNO3)

Compound Name

2-(3-chloro-4-methoxyphenyl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

IUPAC name

2-(3-chloro-4-methoxyphenyl)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

SMILES

COc(ccc(CC(N(CC1)CCC1(CC1)C1O)=O)c1)c1Cl

InChI

InChI=1S/C17H22ClNO3/c1-22-14-3-2-12(10-13(14)18)11-16(21)19-8-6-17(7-9-19)5-4-15(17)20/h2-3,10,15,20H,4-9,11H2,1H3/t15-/m0/s1

InChI Key

DVADCWYSARSHHP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30466141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.842

Distribution Coefficient, logD

1.842

Water Solubility, LogSw

-2.47

Polar Surface Area

39.857

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S664-4945 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 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
Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S664-4945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-4945?
Check Price and Availability of S664-4945, 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 S664-4945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-4945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-4945
  • 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 S664-4945 available by request