C301-5544 Screening compound: 4-methoxy-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

C301-5544 Screening compound: 4-methoxy-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
C301-5544 Screening compound: 4-methoxy-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5544
4-methoxy-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

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

C301-5544

Molecular Formula

C22H19N3O2 (C22 H19 N3 O2)

Compound Name

4-methoxy-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

IUPAC name

4-methoxy-N-[phenyl(5-phenyl-134-oxadiazol-2-yl)methyl]aniline

SMILES

COc(cc1)ccc1NC(c1nnc(-c2ccccc2)o1)c1ccccc1

InChI

InChI=1S/C22H19N3O2/c1-26-19-14-12-18(13-15-19)23-20(16-8-4-2-5-9-16)22-25-24-21(27-22)17-10-6-3-7-11-17/h2-15,20,23H,1H3/t20-/m1/s1

InChI Key

UDZRQPWVTMHZIK-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD09662134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.739

Distribution Coefficient, logD

4.739

Water Solubility, LogSw

-4.58

Polar Surface Area

47.613

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

C301-5544 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C301-5544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5544?
Check Price and Availability of C301-5544, 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 C301-5544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5544
  • 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 C301-5544 available by request