4363-0019 Screening compound: (6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)(hydroxyimino)methyl cyanide

4363-0019 Screening compound: (6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)(hydroxyimino)methyl cyanide
4363-0019 Screening compound: (6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)(hydroxyimino)methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4363-0019
(6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)(hydroxyimino)methyl cyanide

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

4363-0019

Molecular Formula

C15H17N3O3 (C15 H17 N3 O3)

Compound Name

(6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)(hydroxyimino)methyl cyanide

IUPAC name

(E)-67-dimethoxy-33-dimethyl-34-dihydroisoquinoline-1-carbonimidoyl cyanide

SMILES

CC(C)(Cc1c2)N=C(/C(/C#N)=N\O)c1cc(OC)c2OC

InChI

InChI=1S/C15H17N3O3/c1-15(2)7-9-5-12(20-3)13(21-4)6-10(9)14(17-15)11(8-16)18-19/h5-6,19H,7H2,1-4H3

InChI Key

LSNJMZMIBWMKJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01605657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.021

Distribution Coefficient, logD

2.021

Water Solubility, LogSw

-2.05

Polar Surface Area

69.932

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4363-0019 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4363-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4363-0019?
Check Price and Availability of 4363-0019, 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 4363-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4363-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4363-0019
  • 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 4363-0019 available by request