8017-3544 Screening compound: 3-hydroxy-4-methoxybenzonitrile

8017-3544 Screening compound: 3-hydroxy-4-methoxybenzonitrile
8017-3544 Screening compound: 3-hydroxy-4-methoxybenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3544
3-hydroxy-4-methoxybenzonitrile

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

8017-3544

Molecular Formula

C8H7NO2 (C8 H7 NO2)

Compound Name

3-hydroxy-4-methoxybenzonitrile

IUPAC name

3-hydroxy-4-methoxybenzonitrile

SMILES

COc(ccc(C#N)c1)c1O

InChI

InChI=1S/C8H7NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,1H3

InChI Key

ASQHIJLQYYFUDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02258854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

149.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.301

Distribution Coefficient, logD

1.222

Water Solubility, LogSw

-1.77

Polar Surface Area

41.473

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8017-3544 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-3544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3544?
Check Price and Availability of 8017-3544, 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 8017-3544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3544
  • 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 8017-3544 available by request