D216-0712 Screening compound: 1-[4-({4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one

D216-0712 Screening compound: 1-[4-({4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one
D216-0712 Screening compound: 1-[4-({4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0712
1-[4-({4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one

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

D216-0712

Molecular Formula

C20H21N5O4S (C20 H21 N5 O4 S)

Compound Name

1-[4-({4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one

IUPAC name

1-[4-({4-[4-(1H-1234-tetrazol-1-yl)phenoxy]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one

SMILES

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

InChI

InChI=1S/C20H21N5O4S/c1-15(26)16-2-8-20(9-3-16)30(27,28)24-12-10-19(11-13-24)29-18-6-4-17(5-7-18)25-14-21-22-23-25/h2-9,14,19H,10-13H2,1H3

InChI Key

ROGREEUOSYGHRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.331

Water Solubility, LogSw

-2.60

Polar Surface Area

91.803

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D216-0712 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with D216-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0712?
Check Price and Availability of D216-0712, 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 D216-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0712
  • 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 D216-0712 available by request