D154-0019 Screening compound: 3-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl](methyl)amino}propanenitrile

D154-0019 Screening compound: 3-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl](methyl)amino}propanenitrile
D154-0019 Screening compound: 3-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl](methyl)amino}propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D154-0019
3-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl](methyl)amino}propanenitrile

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

D154-0019

Molecular Formula

C16H18N2O3 (C16 H18 N2 O3)

Compound Name

3-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl](methyl)amino}propanenitrile

IUPAC name

3-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl](methyl)amino}propanenitrile

SMILES

CCOc(cc1)cc(C(CN(C)CCC#N)=C2)c1OC2=O

InChI

InChI=1S/C16H18N2O3/c1-3-20-13-5-6-15-14(10-13)12(9-16(19)21-15)11-18(2)8-4-7-17/h5-6,9-10H,3-4,8,11H2,1-2H3

InChI Key

WNNMSNSJYJHHKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08070581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.317

Distribution Coefficient, logD

1.316

Water Solubility, LogSw

-2.51

Polar Surface Area

49.355

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D154-0019 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D154-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D154-0019?
Check Price and Availability of D154-0019, 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 D154-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D154-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D154-0019
  • 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 D154-0019 available by request