5631-0584 Screening compound: 3-(4-methylphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole

5631-0584 Screening compound: 3-(4-methylphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
5631-0584 Screening compound: 3-(4-methylphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5631-0584
3-(4-methylphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole

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

5631-0584

Molecular Formula

C21H24N2O4 (C21 H24 N2 O4)

Compound Name

3-(4-methylphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole

IUPAC name

3-(4-methylphenyl)-5-(345-triethoxyphenyl)-124-oxadiazole

SMILES

CCOc1cc(-c2nc(-c3ccc(C)cc3)no2)cc(OCC)c1OCC

InChI

InChI=1S/C21H24N2O4/c1-5-24-17-12-16(13-18(25-6-2)19(17)26-7-3)21-22-20(23-27-21)15-10-8-14(4)9-11-15/h8-13H,5-7H2,1-4H3

InChI Key

GGNNHUNLFDMQCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03785431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.172

Distribution Coefficient, logD

5.172

Water Solubility, LogSw

-5.08

Polar Surface Area

53.362

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5631-0584 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5631-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5631-0584?
Check Price and Availability of 5631-0584, 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 5631-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5631-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5631-0584
  • 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 5631-0584 available by request