D216-0334 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-1-(4-tert-butylbenzenesulfonyl)piperidine

D216-0334 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-1-(4-tert-butylbenzenesulfonyl)piperidine
D216-0334 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-1-(4-tert-butylbenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0334
4-(2H-1,3-benzodioxol-5-yloxy)-1-(4-tert-butylbenzenesulfonyl)piperidine

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

D216-0334

Molecular Formula

C22H27NO5S (C22 H27 NO5 S)

Compound Name

4-(2H-1,3-benzodioxol-5-yloxy)-1-(4-tert-butylbenzenesulfonyl)piperidine

IUPAC name

4-(2H-13-benzodioxol-5-yloxy)-1-(4-tert-butylbenzenesulfonyl)piperidine

SMILES

CC(C)(C)c(cc1)ccc1S(N(CC1)CCC1Oc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C22H27NO5S/c1-22(2,3)16-4-7-19(8-5-16)29(24,25)23-12-10-17(11-13-23)28-18-6-9-20-21(14-18)27-15-26-20/h4-9,14,17H,10-13,15H2,1-3H3

InChI Key

FGTPOKGMJMKWKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

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

5.009

Distribution Coefficient, logD

5.009

Water Solubility, LogSw

-4.74

Polar Surface Area

55.327

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

D216-0334 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D216-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0334?
Check Price and Availability of D216-0334, 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 D216-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0334
  • 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 D216-0334 available by request