S645-1825 Screening compound: N-(2-ethoxyphenyl)-1-(3-fluorophenyl)-3-methoxy-2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxamide

S645-1825 Screening compound: N-(2-ethoxyphenyl)-1-(3-fluorophenyl)-3-methoxy-2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxamide
S645-1825 Screening compound: N-(2-ethoxyphenyl)-1-(3-fluorophenyl)-3-methoxy-2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S645-1825
N-(2-ethoxyphenyl)-1-(3-fluorophenyl)-3-methoxy-2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxamide

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

S645-1825

Molecular Formula

C23H26FN3O4 (C23 H26 FN3 O4)

Compound Name

N-(2-ethoxyphenyl)-1-(3-fluorophenyl)-3-methoxy-2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxamide

IUPAC name

N-(2-ethoxyphenyl)-1-(3-fluorophenyl)-3-methoxy-2-oxo-17-diazaspiro[3.5]nonane-7-carboxamide

SMILES

CCOc(cccc1)c1NC(N(CC1)CCC1(C(C1=O)OC)N1c1cccc(F)c1)=O

InChI

InChI=1S/C23H26FN3O4/c1-3-31-19-10-5-4-9-18(19)25-22(29)26-13-11-23(12-14-26)20(30-2)21(28)27(23)17-8-6-7-16(24)15-17/h4-10,15,20H,3,11-14H2,1-2H3,(H,25,29)/t20-/m0/s1

InChI Key

NGLHEIMAPZGIEQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31996662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.30

Polar Surface Area

54.354

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

S645-1825 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
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 S645-1825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S645-1825?
Check Price and Availability of S645-1825, 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 S645-1825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S645-1825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S645-1825
  • 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 S645-1825 available by request