Y070-5080 Screening compound: (2E)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide

Y070-5080 Screening compound: (2E)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
Y070-5080 Screening compound: (2E)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-5080
(2E)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide

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

Y070-5080

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

(2E)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide

IUPAC name

(2E)-N-[4-(34-diethoxyphenyl)-125-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide

SMILES

CCOc(ccc(-c1nonc1NC(/C=C/c1ccc(C)cc1)=O)c1)c1OCC

InChI

InChI=1S/C22H23N3O4/c1-4-27-18-12-11-17(14-19(18)28-5-2)21-22(25-29-24-21)23-20(26)13-10-16-8-6-15(3)7-9-16/h6-14H,4-5H2,1-3H3,(H,23,25,26)

InChI Key

QAVMZXHTNWNRRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18076449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

5.039

Water Solubility, LogSw

-4.61

Polar Surface Area

74.293

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

Y070-5080 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y070-5080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-5080?
Check Price and Availability of Y070-5080, 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 Y070-5080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-5080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-5080
  • 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 Y070-5080 available by request