S610-0894 Screening compound: 7-(2,5-difluorobenzenesulfonyl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-1-one

S610-0894 Screening compound: 7-(2,5-difluorobenzenesulfonyl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-1-one
S610-0894 Screening compound: 7-(2,5-difluorobenzenesulfonyl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S610-0894
7-(2,5-difluorobenzenesulfonyl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-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

S610-0894

Molecular Formula

C21H22F2N2O4S (C21 H22 F2 N2 O4 S)

Compound Name

7-(2,5-difluorobenzenesulfonyl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-1-one

IUPAC name

7-(25-difluorobenzenesulfonyl)-2-[(4-methoxyphenyl)methyl]-27-diazaspiro[3.5]nonan-1-one

SMILES

COc1ccc(CN(CC2(CC3)CCN3S(c(cc(cc3)F)c3F)(=O)=O)C2=O)cc1

InChI

InChI=1S/C21H22F2N2O4S/c1-29-17-5-2-15(3-6-17)13-24-14-21(20(24)26)8-10-25(11-9-21)30(27,28)19-12-16(22)4-7-18(19)23/h2-7,12H,8-11,13-14H2,1H3

InChI Key

PBQORTOLNVSZOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.981

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.45

Polar Surface Area

56.105

Acid Dissociation Constant (pKa)

27.29

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S610-0894 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S610-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S610-0894?
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What is the minimum amount of S610-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S610-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S610-0894
  • 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 S610-0894 available by request