6221-0578 Screening compound: (Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino 2-(3,4-dimethoxyphenyl)acetate

6221-0578 Screening compound: (Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino 2-(3,4-dimethoxyphenyl)acetate
6221-0578 Screening compound: (Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino 2-(3,4-dimethoxyphenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6221-0578
(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino 2-(3,4-dimethoxyphenyl)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

6221-0578

Molecular Formula

C19H22N2O5 (C19 H22 N2 O5)

Compound Name

(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino 2-(3,4-dimethoxyphenyl)acetate

IUPAC name

(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino 2-(34-dimethoxyphenyl)acetate

SMILES

COc1ccc(C/C(/N)=N/OC(Cc(cc2)cc(OC)c2OC)=O)cc1

InChI

InChI=1S/C19H22N2O5/c1-23-15-7-4-13(5-8-15)11-18(20)21-26-19(22)12-14-6-9-16(24-2)17(10-14)25-3/h4-10H,11-12H2,1-3H3,(H2,20,21)

InChI Key

ROXKITDFSHAGTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.095

Distribution Coefficient, logD

2.095

Water Solubility, LogSw

-2.63

Polar Surface Area

74.221

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

6221-0578 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6221-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6221-0578?
Check Price and Availability of 6221-0578, 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 6221-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6221-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6221-0578
  • 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 6221-0578 available by request