D216-0265 Screening compound: 1-(3-methoxyphenyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine

D216-0265 Screening compound: 1-(3-methoxyphenyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine
D216-0265 Screening compound: 1-(3-methoxyphenyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0265
1-(3-methoxyphenyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine

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

D216-0265

Molecular Formula

C18H20N6O3S (C18 H20 N6 O3 S)

Compound Name

1-(3-methoxyphenyl)-4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine

IUPAC name

1-(3-methoxyphenyl)-4-[4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]piperazine

SMILES

COc1cccc(N(CC2)CCN2S(c(cc2)ccc2-n2nnnc2)(=O)=O)c1

InChI

InChI=1S/C18H20N6O3S/c1-27-17-4-2-3-16(13-17)22-9-11-23(12-10-22)28(25,26)18-7-5-15(6-8-18)24-14-19-20-21-24/h2-8,13-14H,9-12H2,1H3

InChI Key

IWSMUKAUJWUONL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.375

Distribution Coefficient, logD

2.375

Water Solubility, LogSw

-2.78

Polar Surface Area

82.519

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D216-0265 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D216-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0265?
Check Price and Availability of D216-0265, 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 D216-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0265
  • 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 D216-0265 available by request