S645-1720 Screening compound: 1-(3-fluorophenyl)-3-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-1,7-diazaspiro[3.5]nonan-2-one

S645-1720 Screening compound: 1-(3-fluorophenyl)-3-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-1,7-diazaspiro[3.5]nonan-2-one
S645-1720 Screening compound: 1-(3-fluorophenyl)-3-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-1,7-diazaspiro[3.5]nonan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S645-1720
1-(3-fluorophenyl)-3-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-1,7-diazaspiro[3.5]nonan-2-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

S645-1720

Molecular Formula

C25H27FN2O4 (C25 H27 FN2 O4)

Compound Name

1-(3-fluorophenyl)-3-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-1,7-diazaspiro[3.5]nonan-2-one

IUPAC name

1-(3-fluorophenyl)-3-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-17-diazaspiro[3.5]nonan-2-one

SMILES

COC(C(CC1)(CCN1C(C1(CC1)c(cc1)ccc1OC)=O)N1c2cccc(F)c2)C1=O

InChI

InChI=1S/C25H27FN2O4/c1-31-20-8-6-17(7-9-20)24(10-11-24)23(30)27-14-12-25(13-15-27)21(32-2)22(29)28(25)19-5-3-4-18(26)16-19/h3-9,16,21H,10-15H2,1-2H3/t21-/m0/s1

InChI Key

PFTRAECLZZYLKL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29015762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.456

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-2.73

Polar Surface Area

46.816

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

S645-1720 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
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 S645-1720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S645-1720?
Check Price and Availability of S645-1720, 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 S645-1720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S645-1720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S645-1720
  • 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 S645-1720 available by request