R049-0021 Screening compound: 2-(3,4-dimethoxyphenyl)acetonitrile

R049-0021 Screening compound: 2-(3,4-dimethoxyphenyl)acetonitrile
R049-0021 Screening compound: 2-(3,4-dimethoxyphenyl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound R049-0021
2-(3,4-dimethoxyphenyl)acetonitrile

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

R049-0021

Molecular Formula

C10H11NO2 (C10 H11 NO2)

Compound Name

2-(3,4-dimethoxyphenyl)acetonitrile

IUPAC name

2-(34-dimethoxyphenyl)acetonitrile

SMILES

COc(ccc(CC#N)c1)c1OC

InChI

InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3

InChI Key

ASLSUMISAQDOOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00001911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

177.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.241

Distribution Coefficient, logD

1.241

Water Solubility, LogSw

-1.85

Polar Surface Area

32.991

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

-8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

R049-0021 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Lipid Metabolism Library (9174 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cardiovascular
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R049-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R049-0021?
Check Price and Availability of R049-0021, 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 R049-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R049-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R049-0021
  • 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 R049-0021 available by request