4534-1311 Screening compound: (Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino 2,4-dimethoxybenzoate

4534-1311 Screening compound: (Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino 2,4-dimethoxybenzoate
4534-1311 Screening compound: (Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino 2,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4534-1311
(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino 2,4-dimethoxybenzoate

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

4534-1311

Molecular Formula

C17H17ClN2O4 (C17 H17 ClN2 O4)

Compound Name

(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino 2,4-dimethoxybenzoate

IUPAC name

(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino 24-dimethoxybenzoate

SMILES

COc(cc1)cc(OC)c1C(O/N=C(/Cc(cc1)ccc1Cl)\N)=O

InChI

InChI=1S/C17H17ClN2O4/c1-22-13-7-8-14(15(10-13)23-2)17(21)24-20-16(19)9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H2,19,20)

InChI Key

AQLPPRUBMNWCRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01200232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.48

Polar Surface Area

67.185

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4534-1311 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4534-1311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4534-1311?
Check Price and Availability of 4534-1311, 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 4534-1311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4534-1311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4534-1311
  • 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 4534-1311 available by request