Y030-8534 Screening compound: N-(cyanomethyl)-2-phenoxybutanamide

Y030-8534 Screening compound: N-(cyanomethyl)-2-phenoxybutanamide
Y030-8534 Screening compound: N-(cyanomethyl)-2-phenoxybutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8534
N-(cyanomethyl)-2-phenoxybutanamide

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

Y030-8534

Molecular Formula

C12H14N2O2 (C12 H14 N2 O2)

Compound Name

N-(cyanomethyl)-2-phenoxybutanamide

IUPAC name

N-(cyanomethyl)-2-phenoxybutanamide

SMILES

CCC(C(NCC#N)=O)Oc1ccccc1

InChI

InChI=1S/C12H14N2O2/c1-2-11(12(15)14-9-8-13)16-10-6-4-3-5-7-10/h3-7,11H,2,9H2,1H3,(H,14,15)/t11-/m0/s1

InChI Key

CKMRAIOCSNXWKX-NSHDSACASA-N

MDL Number (MFCD)

MFCD03929475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.574

Distribution Coefficient, logD

1.574

Water Solubility, LogSw

-1.94

Polar Surface Area

48.929

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y030-8534 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y030-8534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8534?
Check Price and Availability of Y030-8534, 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 Y030-8534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8534
  • 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 Y030-8534 available by request