S610-0858 Screening compound: 2-[(4-methoxyphenyl)methyl]-7-(3-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-1-one

S610-0858 Screening compound: 2-[(4-methoxyphenyl)methyl]-7-(3-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-1-one
S610-0858 Screening compound: 2-[(4-methoxyphenyl)methyl]-7-(3-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S610-0858
2-[(4-methoxyphenyl)methyl]-7-(3-methylbenzoyl)-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

S610-0858

Molecular Formula

C23H26N2O3 (C23 H26 N2 O3)

Compound Name

2-[(4-methoxyphenyl)methyl]-7-(3-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-1-one

IUPAC name

2-[(4-methoxyphenyl)methyl]-7-(3-methylbenzoyl)-27-diazaspiro[3.5]nonan-1-one

SMILES

Cc1cccc(C(N(CC2)CCC2(CN2Cc(cc3)ccc3OC)C2=O)=O)c1

InChI

InChI=1S/C23H26N2O3/c1-17-4-3-5-19(14-17)21(26)24-12-10-23(11-13-24)16-25(22(23)27)15-18-6-8-20(28-2)9-7-18/h3-9,14H,10-13,15-16H2,1-2H3

InChI Key

BMAHBUNXEXKNPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.649

Distribution Coefficient, logD

2.649

Water Solubility, LogSw

-2.76

Polar Surface Area

41.042

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

S610-0858 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

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 S610-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S610-0858?
Check Price and Availability of S610-0858, 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 S610-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S610-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S610-0858
  • 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 S610-0858 available by request