D216-0814 Screening compound: N-[4-({4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidin-1-yl}sulfonyl)phenyl]acetamide

D216-0814 Screening compound: N-[4-({4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidin-1-yl}sulfonyl)phenyl]acetamide
D216-0814 Screening compound: N-[4-({4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidin-1-yl}sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0814
N-[4-({4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidin-1-yl}sulfonyl)phenyl]acetamide

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

D216-0814

Molecular Formula

C20H22N6O4S (C20 H22 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H22N6O4S/c1-15(27)22-16-2-8-20(9-3-16)31(28,29)25-12-10-19(11-13-25)30-18-6-4-17(5-7-18)26-14-21-23-24-26/h2-9,14,19H,10-13H2,1H3,(H,22,27)

InChI Key

WIWGVSZPNFKUMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.990

Water Solubility, LogSw

-2.77

Polar Surface Area

101.238

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D216-0814 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 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
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 D216-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0814?
Check Price and Availability of D216-0814, 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 D216-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0814
  • 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 D216-0814 available by request