D216-0780 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidine

D216-0780 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidine
D216-0780 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0780
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-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

D216-0780

Molecular Formula

C20H21N5O5S (C20 H21 N5 O5 S)

Compound Name

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]piperidine

IUPAC name

1-(23-dihydro-14-benzodioxine-6-sulfonyl)-4-[4-(1H-1234-tetrazol-1-yl)phenoxy]piperidine

SMILES

O=S(c(cc1)cc2c1OCCO2)(N(CC1)CCC1Oc(cc1)ccc1-n1nnnc1)=O

InChI

InChI=1S/C20H21N5O5S/c26-31(27,18-5-6-19-20(13-18)29-12-11-28-19)24-9-7-17(8-10-24)30-16-3-1-15(2-4-16)25-14-21-22-23-25/h1-6,13-14,17H,7-12H2

InChI Key

NWAPYBJAVXOLME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.833

Distribution Coefficient, logD

1.833

Water Solubility, LogSw

-2.67

Polar Surface Area

93.800

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D216-0780 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D216-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0780?
Check Price and Availability of D216-0780, 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 D216-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0780
  • 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 D216-0780 available by request