P549-0402 Screening compound: 2-(1H-imidazol-1-yl)-5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}pyridine

P549-0402 Screening compound: 2-(1H-imidazol-1-yl)-5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}pyridine
P549-0402 Screening compound: 2-(1H-imidazol-1-yl)-5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound P549-0402
2-(1H-imidazol-1-yl)-5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-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

P549-0402

Molecular Formula

C18H15N5O (C18 H15 N5 O)

Compound Name

2-(1H-imidazol-1-yl)-5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}pyridine

IUPAC name

2-(1H-imidazol-1-yl)-5-{5-[(4-methylphenyl)methyl]-124-oxadiazol-3-yl}pyridine

SMILES

Cc1ccc(Cc2nc(-c(cc3)cnc3-n3cncc3)no2)cc1

InChI

InChI=1S/C18H15N5O/c1-13-2-4-14(5-3-13)10-17-21-18(22-24-17)15-6-7-16(20-11-15)23-9-8-19-12-23/h2-9,11-12H,10H2,1H3

InChI Key

VKQCNIQQXMPNCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

1.222

Water Solubility, LogSw

-3.13

Polar Surface Area

52.636

Acid Dissociation Constant (pKa)

28.53

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

P549-0402 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P549-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P549-0402?
Check Price and Availability of P549-0402, 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 P549-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P549-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P549-0402
  • 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 P549-0402 available by request