CM4556-7509 Screening compound: 1-[(3-fluorophenyl)methyl]-4-(2,4,6-trimethylbenzenesulfonyl)-9-oxa-1,4-diazaspiro[5.5]undecane

CM4556-7509 Screening compound: 1-[(3-fluorophenyl)methyl]-4-(2,4,6-trimethylbenzenesulfonyl)-9-oxa-1,4-diazaspiro[5.5]undecane
CM4556-7509 Screening compound: 1-[(3-fluorophenyl)methyl]-4-(2,4,6-trimethylbenzenesulfonyl)-9-oxa-1,4-diazaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4556-7509
1-[(3-fluorophenyl)methyl]-4-(2,4,6-trimethylbenzenesulfonyl)-9-oxa-1,4-diazaspiro[5.5]undecane

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

CM4556-7509

Molecular Formula

C24H31FN2O3S (C24 H31 FN2 O3 S)

Compound Name

1-[(3-fluorophenyl)methyl]-4-(2,4,6-trimethylbenzenesulfonyl)-9-oxa-1,4-diazaspiro[5.5]undecane

IUPAC name

1-[(3-fluorophenyl)methyl]-4-(246-trimethylbenzenesulfonyl)-9-oxa-14-diazaspiro[5.5]undecane

SMILES

Cc(cc1C)cc(C)c1S(N1CC2(CCOCC2)N(Cc2cc(F)ccc2)CC1)(=O)=O

InChI

InChI=1S/C24H31FN2O3S/c1-18-13-19(2)23(20(3)14-18)31(28,29)27-10-9-26(16-21-5-4-6-22(25)15-21)24(17-27)7-11-30-12-8-24/h4-6,13-15H,7-12,16-17H2,1-3H3

InChI Key

IBUIHSWORPZHQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.649

Distribution Coefficient, logD

4.644

Water Solubility, LogSw

-4.47

Polar Surface Area

42.899

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

CM4556-7509 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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM4556-7509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4556-7509?
Check Price and Availability of CM4556-7509, 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 CM4556-7509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4556-7509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4556-7509
  • 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 CM4556-7509 available by request