Y030-3550 Screening compound: N-(4-cyanophenyl)-3,4,5-trimethoxybenzamide

Y030-3550 Screening compound: N-(4-cyanophenyl)-3,4,5-trimethoxybenzamide
Y030-3550 Screening compound: N-(4-cyanophenyl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-3550
N-(4-cyanophenyl)-3,4,5-trimethoxybenzamide

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

Y030-3550

Molecular Formula

C17H16N2O4 (C17 H16 N2 O4)

Compound Name

N-(4-cyanophenyl)-3,4,5-trimethoxybenzamide

IUPAC name

N-(4-cyanophenyl)-345-trimethoxybenzamide

SMILES

COc1cc(C(Nc(cc2)ccc2C#N)=O)cc(OC)c1OC

InChI

InChI=1S/C17H16N2O4/c1-21-14-8-12(9-15(22-2)16(14)23-3)17(20)19-13-6-4-11(10-18)5-7-13/h4-9H,1-3H3,(H,19,20)

InChI Key

GUOKYMGFPUHLAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03210515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.456

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-3.20

Polar Surface Area

63.364

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y030-3550 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
  • 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 Y030-3550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-3550?
Check Price and Availability of Y030-3550, 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 Y030-3550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-3550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-3550
  • 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 Y030-3550 available by request