S550-0011 Screening compound: (2E)-3-phenyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)prop-2-enamide

S550-0011 Screening compound: (2E)-3-phenyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)prop-2-enamide
S550-0011 Screening compound: (2E)-3-phenyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S550-0011
(2E)-3-phenyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)prop-2-enamide

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

S550-0011

Molecular Formula

C21H20N6O2 (C21 H20 N6 O2)

Compound Name

(2E)-3-phenyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)prop-2-enamide

IUPAC name

(2E)-3-phenyl-N-({8-[3-(propan-2-yl)-124-oxadiazol-5-yl]-[124]triazolo[43-a]pyridin-3-yl}methyl)prop-2-enamide

SMILES

CC(C)c1noc(-c2cccn3c2nnc3CNC(/C=C/c2ccccc2)=O)n1

InChI

InChI=1S/C21H20N6O2/c1-14(2)19-23-21(29-26-19)16-9-6-12-27-17(24-25-20(16)27)13-22-18(28)11-10-15-7-4-3-5-8-15/h3-12,14H,13H2,1-2H3,(H,22,28)

InChI Key

DTNQZIFXKGDBMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.881

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-3.38

Polar Surface Area

79.248

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

S550-0011 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • 3D
  • Fragments
  • Mimetics

References: we are preparing a list of scientific research reports with S550-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S550-0011?
Check Price and Availability of S550-0011, 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 S550-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S550-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S550-0011
  • 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 S550-0011 available by request