S550-0595 Screening compound: N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-1H-indole-4-carboxamide

S550-0595 Screening compound: N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-1H-indole-4-carboxamide
S550-0595 Screening compound: N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-1H-indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S550-0595
N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-1H-indole-4-carboxamide

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

S550-0595

Molecular Formula

C21H17N7O2 (C21 H17 N7 O2)

Compound Name

N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-1H-indole-4-carboxamide

IUPAC name

N-{[8-(3-cyclopropyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}-1H-indole-4-carboxamide

SMILES

O=C(c1c(cc[nH]2)c2ccc1)NCc1nnc2n1cccc2-c1nc(C2CC2)no1

InChI

InChI=1S/C21H17N7O2/c29-20(14-3-1-5-16-13(14)8-9-22-16)23-11-17-25-26-19-15(4-2-10-28(17)19)21-24-18(27-30-21)12-6-7-12/h1-5,8-10,12,22H,6-7,11H2,(H,23,29)

InChI Key

CVARRTGLGPCZAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.308

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-2.92

Polar Surface Area

89.495

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

S550-0595 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S550-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S550-0595?
Check Price and Availability of S550-0595, 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 S550-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S550-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S550-0595
  • 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 S550-0595 available by request