D216-0213 Screening compound: 1-(4-propylbenzenesulfonyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidine

D216-0213 Screening compound: 1-(4-propylbenzenesulfonyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidine
D216-0213 Screening compound: 1-(4-propylbenzenesulfonyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0213
1-(4-propylbenzenesulfonyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]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

D216-0213

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

1-(4-propylbenzenesulfonyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidine

IUPAC name

1-(4-propylbenzenesulfonyl)-4-[4-(1H-1234-tetrazol-1-yl)phenoxy]piperidine

SMILES

CCCc(cc1)ccc1S(N(CC1)CCC1Oc(cc1)ccc1-n1nnnc1)(=O)=O

InChI

InChI=1S/C21H25N5O3S/c1-2-3-17-4-10-21(11-5-17)30(27,28)25-14-12-20(13-15-25)29-19-8-6-18(7-9-19)26-16-22-23-24-26/h4-11,16,20H,2-3,12-15H2,1H3

InChI Key

YNAFAFWFNRPBLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.10

Polar Surface Area

77.976

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D216-0213 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Eye
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D216-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0213?
Check Price and Availability of D216-0213, 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 D216-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0213
  • 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 D216-0213 available by request