S671-0485 Screening compound: 7-ethyl-11-[(3-fluoro-2-hydroxyphenyl)methyl]-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one

S671-0485 Screening compound: 7-ethyl-11-[(3-fluoro-2-hydroxyphenyl)methyl]-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one
S671-0485 Screening compound: 7-ethyl-11-[(3-fluoro-2-hydroxyphenyl)methyl]-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S671-0485
7-ethyl-11-[(3-fluoro-2-hydroxyphenyl)methyl]-3-oxa-7,11-diazaspiro[5.6]dodecan-8-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

S671-0485

Molecular Formula

C18H25FN2O3 (C18 H25 FN2 O3)

Compound Name

7-ethyl-11-[(3-fluoro-2-hydroxyphenyl)methyl]-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one

IUPAC name

7-ethyl-11-[(3-fluoro-2-hydroxyphenyl)methyl]-3-oxa-711-diazaspiro[5.6]dodecan-8-one

SMILES

CCN(C1(CCOCC1)CN(Cc1cccc(F)c1O)CC1)C1=O

InChI

InChI=1S/C18H25FN2O3/c1-2-21-16(22)6-9-20(13-18(21)7-10-24-11-8-18)12-14-4-3-5-15(19)17(14)23/h3-5,23H,2,6-13H2,1H3

InChI Key

VRQOVLDVVYTACN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.273

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-2.23

Polar Surface Area

43.544

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S671-0485 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S671-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S671-0485?
Check Price and Availability of S671-0485, 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 S671-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S671-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S671-0485
  • 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 S671-0485 available by request