Y030-3226 Screening compound: N-(cyanomethyl)-3,4,5-trimethoxybenzamide

Y030-3226 Screening compound: N-(cyanomethyl)-3,4,5-trimethoxybenzamide
Y030-3226 Screening compound: N-(cyanomethyl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-3226
N-(cyanomethyl)-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

Y030-3226

Molecular Formula

C12H14N2O4 (C12 H14 N2 O4)

Compound Name

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

IUPAC name

N-(cyanomethyl)-345-trimethoxybenzamide

SMILES

COc1cc(C(NCC#N)=O)cc(OC)c1OC

InChI

InChI=1S/C12H14N2O4/c1-16-9-6-8(12(15)14-5-4-13)7-10(17-2)11(9)18-3/h6-7H,5H2,1-3H3,(H,14,15)

InChI Key

FVVJVTSODPWHBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01833168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.25

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

0.741

Distribution Coefficient, logD

0.741

Water Solubility, LogSw

-1.74

Polar Surface Area

65.234

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y030-3226 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y030-3226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-3226?
Check Price and Availability of Y030-3226, 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 Y030-3226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-3226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-3226
  • 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 Y030-3226 available by request