S280-0820 Screening compound: 3-(2-methoxyphenyl)-N-({5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)propanamide

S280-0820 Screening compound: 3-(2-methoxyphenyl)-N-({5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)propanamide
S280-0820 Screening compound: 3-(2-methoxyphenyl)-N-({5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S280-0820
3-(2-methoxyphenyl)-N-({5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)propanamide

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

S280-0820

Molecular Formula

C17H22N4O2 (C17 H22 N4 O2)

Compound Name

3-(2-methoxyphenyl)-N-({5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)propanamide

IUPAC name

3-(2-methoxyphenyl)-N-({5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}methyl)propanamide

SMILES

COc1c(CCC(NCc2nnc3n2CCCC3)=O)cccc1

InChI

InChI=1S/C17H22N4O2/c1-23-14-7-3-2-6-13(14)9-10-17(22)18-12-16-20-19-15-8-4-5-11-21(15)16/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,22)

InChI Key

IBNJYSKFPQZMRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27617844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.245

Distribution Coefficient, logD

1.245

Water Solubility, LogSw

-1.95

Polar Surface Area

58.010

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

S280-0820 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S280-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S280-0820?
Check Price and Availability of S280-0820, 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 S280-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S280-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S280-0820
  • 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 S280-0820 available by request