P278-0796 Screening compound: 1-(2H-1,3-BENZODIOXOL-5-YL)-3-{3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL}UREA

P278-0796 Screening compound: 1-(2H-1,3-BENZODIOXOL-5-YL)-3-{3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL}UREA
P278-0796 Screening compound: 1-(2H-1,3-BENZODIOXOL-5-YL)-3-{3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL}UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound P278-0796
1-(2H-1,3-BENZODIOXOL-5-YL)-3-{3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL}UREA

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

P278-0796

Molecular Formula

C18H17N5O3 (C18 H17 N5 O3)

Compound Name

1-(2H-1,3-BENZODIOXOL-5-YL)-3-{3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL}UREA

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-{3-cyclobutyl-[124]triazolo[43-a]pyridin-8-yl}urea

SMILES

O=C(Nc(cc1)cc2c1OCO2)Nc1cccn2c1nnc2C1CCC1

InChI

InChI=1S/C18H17N5O3/c24-18(19-12-6-7-14-15(9-12)26-10-25-14)20-13-5-2-8-23-16(11-3-1-4-11)21-22-17(13)23/h2,5-9,11H,1,3-4,10H2,(H2,19,20,24)

InChI Key

DOXKDYDUJFJOSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27571387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.342

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-2.95

Polar Surface Area

71.367

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

P278-0796 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P278-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P278-0796?
Check Price and Availability of P278-0796, 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 P278-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P278-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P278-0796
  • 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 P278-0796 available by request