Y030-3172 Screening compound: N-(cyanomethyl)-3,4,5-triethoxybenzamide

Y030-3172 Screening compound: N-(cyanomethyl)-3,4,5-triethoxybenzamide
Y030-3172 Screening compound: N-(cyanomethyl)-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-3172
N-(cyanomethyl)-3,4,5-triethoxybenzamide

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

Y030-3172

Molecular Formula

C15H20N2O4 (C15 H20 N2 O4)

Compound Name

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

IUPAC name

N-(cyanomethyl)-345-triethoxybenzamide

SMILES

CCOc1cc(C(NCC#N)=O)cc(OCC)c1OCC

InChI

InChI=1S/C15H20N2O4/c1-4-19-12-9-11(15(18)17-8-7-16)10-13(20-5-2)14(12)21-6-3/h9-10H,4-6,8H2,1-3H3,(H,17,18)

InChI Key

OAXXFHOYAMHIIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02859655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.700

Distribution Coefficient, logD

1.700

Water Solubility, LogSw

-2.15

Polar Surface Area

63.974

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

Y030-3172 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y030-3172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-3172?
Check Price and Availability of Y030-3172, 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 Y030-3172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-3172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-3172
  • 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 Y030-3172 available by request