8011-9466 Screening compound: N'~1~,3-dihydroxy-4-methoxy-1-benzenecarboximidamide

8011-9466 Screening compound: N'~1~,3-dihydroxy-4-methoxy-1-benzenecarboximidamide
8011-9466 Screening compound: N'~1~,3-dihydroxy-4-methoxy-1-benzenecarboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9466
N'~1~,3-dihydroxy-4-methoxy-1-benzenecarboximidamide

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

8011-9466

Molecular Formula

C8H10N2O3 (C8 H10 N2 O3)

Compound Name

N'~1~,3-dihydroxy-4-methoxy-1-benzenecarboximidamide

IUPAC name

(Z)-N'3-dihydroxy-4-methoxybenzene-1-carboximidamide

SMILES

COc(ccc(/C(/N)=N/O)c1)c1O

InChI

InChI=1S/C8H10N2O3/c1-13-7-3-2-5(4-6(7)11)8(9)10-12/h2-4,11-12H,1H3,(H2,9,10)

InChI Key

HFPJMJWKZLRGNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

182.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.333

Distribution Coefficient, logD

0.330

Water Solubility, LogSw

-1.49

Polar Surface Area

74.171

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8011-9466 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8011-9466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9466?
Check Price and Availability of 8011-9466, 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 8011-9466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9466
  • 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 8011-9466 available by request