8018-8725 Screening compound: 5-cyano-2-methoxyphenyl acetate

8018-8725 Screening compound: 5-cyano-2-methoxyphenyl acetate
8018-8725 Screening compound: 5-cyano-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8725
5-cyano-2-methoxyphenyl acetate

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

8018-8725

Molecular Formula

C10H9NO3 (C10 H9 NO3)

Compound Name

5-cyano-2-methoxyphenyl acetate

IUPAC name

5-cyano-2-methoxyphenyl acetate

SMILES

CC(Oc(cc(cc1)C#N)c1OC)=O

InChI

InChI=1S/C10H9NO3/c1-7(12)14-10-5-8(6-11)3-4-9(10)13-2/h3-5H,1-2H3

InChI Key

SYJPYEPVHDBQFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08445363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.438

Distribution Coefficient, logD

1.438

Water Solubility, LogSw

-1.93

Polar Surface Area

45.763

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8018-8725 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8018-8725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8725?
Check Price and Availability of 8018-8725, 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 8018-8725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8725
  • 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 8018-8725 available by request