5220-0839 Screening compound: (Z)-[amino(pyridin-3-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)acetate

5220-0839 Screening compound: (Z)-[amino(pyridin-3-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)acetate
5220-0839 Screening compound: (Z)-[amino(pyridin-3-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5220-0839
(Z)-[amino(pyridin-3-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)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

5220-0839

Molecular Formula

C16H16ClN3O3 (C16 H16 ClN3 O3)

Compound Name

(Z)-[amino(pyridin-3-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)acetate

IUPAC name

(Z)-[amino(pyridin-3-yl)methylidene]amino 2-(4-chloro-35-dimethylphenoxy)acetate

SMILES

Cc1cc(OCC(O/N=C(/c2cnccc2)\N)=O)cc(C)c1Cl

InChI

InChI=1S/C16H16ClN3O3/c1-10-6-13(7-11(2)15(10)17)22-9-14(21)23-20-16(18)12-4-3-5-19-8-12/h3-8H,9H2,1-2H3,(H2,18,20)

InChI Key

LQSVVHYGDSTXJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01985968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.242

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-3.06

Polar Surface Area

68.532

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 5220-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5220-0839?
Check Price and Availability of 5220-0839, 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 5220-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5220-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5220-0839
  • 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 5220-0839 available by request