8020-6049 Screening compound: 3-amino-4-hydroxy-5-methoxybenzonitrile

8020-6049 Screening compound: 3-amino-4-hydroxy-5-methoxybenzonitrile
8020-6049 Screening compound: 3-amino-4-hydroxy-5-methoxybenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6049
3-amino-4-hydroxy-5-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

8020-6049

Molecular Formula

C8H8N2O2 (C8 H8 N2 O2)

Compound Name

3-amino-4-hydroxy-5-methoxybenzonitrile

IUPAC name

3-amino-4-hydroxy-5-methoxybenzonitrile

SMILES

COc(cc(cc1N)C#N)c1O

InChI

InChI=1S/C8H8N2O2/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-3,11H,10H2,1H3

InChI Key

UYMILGSFFZLODF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24540261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

164.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.705

Distribution Coefficient, logD

0.684

Water Solubility, LogSw

-1.12

Polar Surface Area

60.500

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8020-6049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6049?
Check Price and Availability of 8020-6049, 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 8020-6049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6049
  • 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 8020-6049 available by request