CM3542-3165 Screening compound: 8-(3-fluoro-4-methylbenzenesulfonyl)-2-[(4-methylpiperazin-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

CM3542-3165 Screening compound: 8-(3-fluoro-4-methylbenzenesulfonyl)-2-[(4-methylpiperazin-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CM3542-3165 Screening compound: 8-(3-fluoro-4-methylbenzenesulfonyl)-2-[(4-methylpiperazin-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3542-3165
8-(3-fluoro-4-methylbenzenesulfonyl)-2-[(4-methylpiperazin-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

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

CM3542-3165

Molecular Formula

C21H32FN3O3S (C21 H32 FN3 O3 S)

Compound Name

8-(3-fluoro-4-methylbenzenesulfonyl)-2-[(4-methylpiperazin-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

IUPAC name

8-(3-fluoro-4-methylbenzenesulfonyl)-2-[(4-methylpiperazin-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

SMILES

Cc(ccc(S(N(CC1)CCC11OC(CN2CCN(C)CC2)CC1)(=O)=O)c1)c1F

InChI

InChI=1S/C21H32FN3O3S/c1-17-3-4-19(15-20(17)22)29(26,27)25-9-7-21(8-10-25)6-5-18(28-21)16-24-13-11-23(2)12-14-24/h3-4,15,18H,5-14,16H2,1-2H3/t18-/m0/s1

InChI Key

OYDBUMJPTWDSGP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30467222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

1.495

Water Solubility, LogSw

-2.60

Polar Surface Area

45.485

Acid Dissociation Constant (pKa)

26.70

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

CM3542-3165 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 CM3542-3165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3542-3165?
Check Price and Availability of CM3542-3165, 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 CM3542-3165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3542-3165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3542-3165
  • 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 CM3542-3165 available by request