S653-0016 Screening compound: [2-BENZOYL-8-(3-METHYLBENZOYL)-2,8-DIAZASPIRO[4.5]DECAN-3-YL]METHANOL

S653-0016 Screening compound: [2-BENZOYL-8-(3-METHYLBENZOYL)-2,8-DIAZASPIRO[4.5]DECAN-3-YL]METHANOL
S653-0016 Screening compound: [2-BENZOYL-8-(3-METHYLBENZOYL)-2,8-DIAZASPIRO[4.5]DECAN-3-YL]METHANOL alternative view

Chemical Structure Depiction of ChemDiv screening compound S653-0016
[2-BENZOYL-8-(3-METHYLBENZOYL)-2,8-DIAZASPIRO[4.5]DECAN-3-YL]METHANOL

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

S653-0016

Molecular Formula

C24H28N2O3 (C24 H28 N2 O3)

Compound Name

[2-BENZOYL-8-(3-METHYLBENZOYL)-2,8-DIAZASPIRO[4.5]DECAN-3-YL]METHANOL

IUPAC name

n/a

SMILES

Cc1cccc(C(N2CCC(CC3CO)(CN3C(c3ccccc3)=O)CC2)=O)c1

InChI

InChI=1S/C24H28N2O3/c1-18-6-5-9-20(14-18)22(28)25-12-10-24(11-13-25)15-21(16-27)26(17-24)23(29)19-7-3-2-4-8-19/h2-9,14,21,27H,10-13,15-17H2,1H3/t21-/m0/s1

InChI Key

IAYRZEPUVUXLDQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32010832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.245

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.63

Polar Surface Area

50.324

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

S653-0016 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S653-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S653-0016?
Check Price and Availability of S653-0016, 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 S653-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S653-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S653-0016
  • 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 S653-0016 available by request