S551-0672 Screening compound: 1-{[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-4-(propan-2-yl)piperazine

S551-0672 Screening compound: 1-{[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-4-(propan-2-yl)piperazine
S551-0672 Screening compound: 1-{[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-4-(propan-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S551-0672
1-{[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-4-(propan-2-yl)piperazine

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

S551-0672

Molecular Formula

C22H25N7O (C22 H25 N7 O)

Compound Name

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

IUPAC name

1-{[7-(3-phenyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}-4-(propan-2-yl)piperazine

SMILES

CC(C)N1CCN(Cc2nnc3n2ccc(-c2nc(-c4ccccc4)no2)c3)CC1

InChI

InChI=1S/C22H25N7O/c1-16(2)28-12-10-27(11-13-28)15-20-25-24-19-14-18(8-9-29(19)20)22-23-21(26-30-22)17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3

InChI Key

HFJILSKFMWJUSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

1.162

Water Solubility, LogSw

-2.89

Polar Surface Area

61.827

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

S551-0672 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S551-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S551-0672?
Check Price and Availability of S551-0672, 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 S551-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S551-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S551-0672
  • 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 S551-0672 available by request