4953-1594 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino 2-(4-ethylphenoxy)acetate

4953-1594 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino 2-(4-ethylphenoxy)acetate
4953-1594 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino 2-(4-ethylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-1594
(Z)-[amino(pyridin-4-yl)methylidene]amino 2-(4-ethylphenoxy)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

4953-1594

Molecular Formula

C16H17N3O3 (C16 H17 N3 O3)

Compound Name

(Z)-[amino(pyridin-4-yl)methylidene]amino 2-(4-ethylphenoxy)acetate

IUPAC name

(Z)-[amino(pyridin-4-yl)methylidene]amino 2-(4-ethylphenoxy)acetate

SMILES

CCc(cc1)ccc1OCC(O/N=C(/c1ccncc1)\N)=O

InChI

InChI=1S/C16H17N3O3/c1-2-12-3-5-14(6-4-12)21-11-15(20)22-19-16(17)13-7-9-18-10-8-13/h3-10H,2,11H2,1H3,(H2,17,19)

InChI Key

QKSPJJAZKLOJTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03259947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

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

1.624

Distribution Coefficient, logD

1.622

Water Solubility, LogSw

-1.39

Polar Surface Area

68.442

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4953-1594 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 4953-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-1594?
Check Price and Availability of 4953-1594, 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 4953-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-1594
  • 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 4953-1594 available by request