S569-0355 Screening compound: 1-[(3-methoxyphenyl)sulfonyl]-3-(1H-1,2,3,4-tetraazol-5-yl)piperidine

S569-0355 Screening compound: 1-[(3-methoxyphenyl)sulfonyl]-3-(1H-1,2,3,4-tetraazol-5-yl)piperidine
S569-0355 Screening compound: 1-[(3-methoxyphenyl)sulfonyl]-3-(1H-1,2,3,4-tetraazol-5-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S569-0355
1-[(3-methoxyphenyl)sulfonyl]-3-(1H-1,2,3,4-tetraazol-5-yl)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

S569-0355

Molecular Formula

C13H17N5O3S (C13 H17 N5 O3 S)

Compound Name

1-[(3-methoxyphenyl)sulfonyl]-3-(1H-1,2,3,4-tetraazol-5-yl)piperidine

IUPAC name

n/a

SMILES

COc1cccc(S(N(CCC2)CC2c2nnn[nH]2)(=O)=O)c1

InChI

InChI=1S/C13H17N5O3S/c1-21-11-5-2-6-12(8-11)22(19,20)18-7-3-4-10(9-18)13-14-16-17-15-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,14,15,16,17)/t10-/m0/s1

InChI Key

MPDHDUHZBIWTAW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD29014838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.105

Distribution Coefficient, logD

-0.642

Water Solubility, LogSw

-2.29

Polar Surface Area

89.539

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

S569-0355 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S569-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S569-0355?
Check Price and Availability of S569-0355, 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 S569-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S569-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S569-0355
  • 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 S569-0355 available by request