S551-0658 Screening compound: 4-benzyl-1-{[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}piperidine

S551-0658 Screening compound: 4-benzyl-1-{[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}piperidine
S551-0658 Screening compound: 4-benzyl-1-{[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S551-0658
4-benzyl-1-{[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}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

S551-0658

Molecular Formula

C27H26N6O (C27 H26 N6 O)

Compound Name

4-benzyl-1-{[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}piperidine

IUPAC name

4-benzyl-1-{[7-(3-phenyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}piperidine

SMILES

C(C1CCN(Cc2nnc3n2ccc(-c2nc(-c4ccccc4)no2)c3)CC1)c1ccccc1

InChI

InChI=1S/C27H26N6O/c1-3-7-20(8-4-1)17-21-11-14-32(15-12-21)19-25-30-29-24-18-23(13-16-33(24)25)27-28-26(31-34-27)22-9-5-2-6-10-22/h1-10,13,16,18,21H,11-12,14-15,17,19H2

InChI Key

VXFSQEYRDMHDGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

4.990

Water Solubility, LogSw

-4.94

Polar Surface Area

57.692

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

S551-0658 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with S551-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S551-0658?
Check Price and Availability of S551-0658, 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 S551-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S551-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S551-0658
  • 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 S551-0658 available by request