5631-1096 Screening compound: (Z)-[amino(pyridin-2-yl)methylidene]amino 2-(2,3,5-trimethylphenoxy)acetate

5631-1096 Screening compound: (Z)-[amino(pyridin-2-yl)methylidene]amino 2-(2,3,5-trimethylphenoxy)acetate
5631-1096 Screening compound: (Z)-[amino(pyridin-2-yl)methylidene]amino 2-(2,3,5-trimethylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5631-1096
(Z)-[amino(pyridin-2-yl)methylidene]amino 2-(2,3,5-trimethylphenoxy)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

5631-1096

Molecular Formula

C17H19N3O3 (C17 H19 N3 O3)

Compound Name

(Z)-[amino(pyridin-2-yl)methylidene]amino 2-(2,3,5-trimethylphenoxy)acetate

IUPAC name

(Z)-[amino(pyridin-2-yl)methylidene]amino 2-(235-trimethylphenoxy)acetate

SMILES

Cc1cc(OCC(O/N=C(/c2ncccc2)\N)=O)c(C)c(C)c1

InChI

InChI=1S/C17H19N3O3/c1-11-8-12(2)13(3)15(9-11)22-10-16(21)23-20-17(18)14-6-4-5-7-19-14/h4-9H,10H2,1-3H3,(H2,18,20)

InChI Key

LNMGSRIUEOXAQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

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

2.349

Distribution Coefficient, logD

2.349

Water Solubility, LogSw

-2.48

Polar Surface Area

68.148

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5631-1096 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 5631-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5631-1096?
Check Price and Availability of 5631-1096, 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 5631-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5631-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5631-1096
  • 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 5631-1096 available by request