T505-0558 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine

T505-0558 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine
T505-0558 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T505-0558
1-(2,5-dimethoxybenzenesulfonyl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}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

T505-0558

Molecular Formula

C24H30N4O5S (C24 H30 N4 O5 S)

Compound Name

1-(2,5-dimethoxybenzenesulfonyl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine

IUPAC name

1-(25-dimethoxybenzenesulfonyl)-2-{2-[4-(phenoxymethyl)-1H-123-triazol-1-yl]ethyl}piperidine

SMILES

COc(cc1)cc(S(N2C(CCn3nnc(COc4ccccc4)c3)CCCC2)(=O)=O)c1OC

InChI

InChI=1S/C24H30N4O5S/c1-31-22-11-12-23(32-2)24(16-22)34(29,30)28-14-7-6-8-20(28)13-15-27-17-19(25-26-27)18-33-21-9-4-3-5-10-21/h3-5,9-12,16-17,20H,6-8,13-15,18H2,1-2H3/t20-/m1/s1

InChI Key

AZYVGELBDOUQOQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32261877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.63

Polar Surface Area

81.761

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

T505-0558 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T505-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T505-0558?
Check Price and Availability of T505-0558, 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 T505-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T505-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T505-0558
  • 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 T505-0558 available by request