4363-0018 Screening compound: ethyl (2E)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-2-(N-hydroxyimino)acetate

4363-0018 Screening compound: ethyl (2E)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-2-(N-hydroxyimino)acetate
4363-0018 Screening compound: ethyl (2E)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-2-(N-hydroxyimino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4363-0018
ethyl (2E)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-2-(N-hydroxyimino)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

4363-0018

Molecular Formula

C17H22N2O5 (C17 H22 N2 O5)

Compound Name

ethyl (2E)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-2-(N-hydroxyimino)acetate

IUPAC name

ethyl (2E)-2-(67-dimethoxy-33-dimethyl-34-dihydroisoquinolin-1-yl)-2-(N-hydroxyimino)acetate

SMILES

CCOC(/C(/C1=NC(C)(C)Cc(cc2OC)c1cc2OC)=N/O)=O

InChI

InChI=1S/C17H22N2O5/c1-6-24-16(20)15(19-21)14-11-8-13(23-5)12(22-4)7-10(11)9-17(2,3)18-14/h7-8,21H,6,9H2,1-5H3

InChI Key

RHUWZHLNFKEDCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01308957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.139

Distribution Coefficient, logD

2.134

Water Solubility, LogSw

-2.19

Polar Surface Area

73.549

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

4363-0018 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4363-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4363-0018?
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What is the minimum amount of 4363-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4363-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4363-0018
  • 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 4363-0018 available by request