P549-0435 Screening compound: 5-[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-3-yl]-2-(1H-imidazol-1-yl)pyridine

P549-0435 Screening compound: 5-[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-3-yl]-2-(1H-imidazol-1-yl)pyridine
P549-0435 Screening compound: 5-[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-3-yl]-2-(1H-imidazol-1-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound P549-0435
5-[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-3-yl]-2-(1H-imidazol-1-yl)pyridine

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

P549-0435

Molecular Formula

C18H13N5O3 (C18 H13 N5 O3)

Compound Name

5-[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-3-yl]-2-(1H-imidazol-1-yl)pyridine

IUPAC name

5-[5-(23-dihydro-14-benzodioxin-2-yl)-124-oxadiazol-3-yl]-2-(1H-imidazol-1-yl)pyridine

SMILES

C1Oc(cccc2)c2OC1c1nc(-c(cc2)cnc2-n2cncc2)no1

InChI

InChI=1S/C18H13N5O3/c1-2-4-14-13(3-1)24-10-15(25-14)18-21-17(22-26-18)12-5-6-16(20-9-12)23-8-7-19-11-23/h1-9,11,15H,10H2/t15-/m0/s1

InChI Key

HRJQJMWVMWHYHL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27604320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.144

Distribution Coefficient, logD

0.913

Water Solubility, LogSw

-2.94

Polar Surface Area

68.408

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

P549-0435 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P549-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P549-0435?
Check Price and Availability of P549-0435, 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 P549-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P549-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P549-0435
  • 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 P549-0435 available by request