4335-0459 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino 3,5-dimethoxybenzoate

4335-0459 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino 3,5-dimethoxybenzoate
4335-0459 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino 3,5-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4335-0459
(Z)-[amino(pyridin-4-yl)methylidene]amino 3,5-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

4335-0459

Molecular Formula

C15H15N3O4 (C15 H15 N3 O4)

Compound Name

(Z)-[amino(pyridin-4-yl)methylidene]amino 3,5-dimethoxybenzoate

IUPAC name

(Z)-[amino(pyridin-4-yl)methylidene]amino 35-dimethoxybenzoate

SMILES

COc1cc(C(O/N=C(/c2ccncc2)\N)=O)cc(OC)c1

InChI

InChI=1S/C15H15N3O4/c1-20-12-7-11(8-13(9-12)21-2)15(19)22-18-14(16)10-3-5-17-6-4-10/h3-9H,1-2H3,(H2,16,18)

InChI Key

DHEWUXZIQZOUPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01200226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.270

Distribution Coefficient, logD

1.268

Water Solubility, LogSw

-1.25

Polar Surface Area

76.625

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4335-0459 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 4335-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4335-0459?
Check Price and Availability of 4335-0459, 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 4335-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4335-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4335-0459
  • 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 4335-0459 available by request