S663-0016 Screening compound: 2-methoxy-N~1~-[7-(2-thienylcarbonyl)-7-azaspiro[3.5]non-1-yl]acetamide

S663-0016 Screening compound: 2-methoxy-N~1~-[7-(2-thienylcarbonyl)-7-azaspiro[3.5]non-1-yl]acetamide
S663-0016 Screening compound: 2-methoxy-N~1~-[7-(2-thienylcarbonyl)-7-azaspiro[3.5]non-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S663-0016
2-methoxy-N~1~-[7-(2-thienylcarbonyl)-7-azaspiro[3.5]non-1-yl]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

S663-0016

Molecular Formula

C16H22N2O3S (C16 H22 N2 O3 S)

Compound Name

2-methoxy-N~1~-[7-(2-thienylcarbonyl)-7-azaspiro[3.5]non-1-yl]acetamide

IUPAC name

2-methoxy-N-[7-(thiophene-2-carbonyl)-7-azaspiro[3.5]nonan-1-yl]acetamide

SMILES

COCC(NC(CC1)C1(CC1)CCN1C(c1cccs1)=O)=O

InChI

InChI=1S/C16H22N2O3S/c1-21-11-14(19)17-13-4-5-16(13)6-8-18(9-7-16)15(20)12-3-2-10-22-12/h2-3,10,13H,4-9,11H2,1H3,(H,17,19)/t13-/m0/s1

InChI Key

MMEXMTYEBRXKAK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30460722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.015

Distribution Coefficient, logD

1.015

Water Solubility, LogSw

-2.12

Polar Surface Area

50.975

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S663-0016 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S663-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S663-0016?
Check Price and Availability of S663-0016, 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 S663-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S663-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S663-0016
  • 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 S663-0016 available by request