D216-0242 Screening compound: 1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-1,2,3,6-tetrahydropyridine

D216-0242 Screening compound: 1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-1,2,3,6-tetrahydropyridine
D216-0242 Screening compound: 1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-1,2,3,6-tetrahydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0242
1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-1,2,3,6-tetrahydropyridine

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

D216-0242

Molecular Formula

C12H13N5O2S (C12 H13 N5 O2 S)

Compound Name

1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-1,2,3,6-tetrahydropyridine

IUPAC name

1-[4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]-1236-tetrahydropyridine

SMILES

O=S(c(cc1)ccc1-n1nnnc1)(N1CC=CCC1)=O

InChI

InChI=1S/C12H13N5O2S/c18-20(19,16-8-2-1-3-9-16)12-6-4-11(5-7-12)17-10-13-14-15-17/h1-2,4-7,10H,3,8-9H2

InChI Key

YRVTXFNNDJRVBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.609

Distribution Coefficient, logD

1.609

Water Solubility, LogSw

-2.48

Polar Surface Area

71.715

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D216-0242 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
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 D216-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0242?
Check Price and Availability of D216-0242, 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 D216-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0242
  • 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 D216-0242 available by request