5532-1168 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)acetate

5532-1168 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)acetate
5532-1168 Screening compound: (Z)-[amino(pyridin-4-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5532-1168
(Z)-[amino(pyridin-4-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

5532-1168

Molecular Formula

C16H16ClN3O3 (C16 H16 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OCC(O/N=C(/c2ccncc2)\N)=O)cc(C)c1Cl

InChI

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

InChI Key

HBPCHNYXKJPPLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01985969

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

2.324

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-3.12

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

References: we are preparing a list of scientific research reports with 5532-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5532-1168?
Check Price and Availability of 5532-1168, 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 5532-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5532-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5532-1168
  • 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 5532-1168 available by request