4904-5295 Screening compound: (Z)-[amino(pyridin-2-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)acetate

4904-5295 Screening compound: (Z)-[amino(pyridin-2-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)acetate
4904-5295 Screening compound: (Z)-[amino(pyridin-2-yl)methylidene]amino 2-(4-chloro-3,5-dimethylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4904-5295
(Z)-[amino(pyridin-2-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

4904-5295

Molecular Formula

C16H16ClN3O3 (C16 H16 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OCC(O/N=C(/c2ncccc2)\N)=O)cc(C)c1Cl

InChI

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

InChI Key

VWBKLABNISLKCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01985976

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

2.517

Distribution Coefficient, logD

2.517

Water Solubility, LogSw

-2.97

Polar Surface Area

68.062

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 4904-5295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4904-5295?
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What is the minimum amount of 4904-5295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4904-5295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4904-5295
  • 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 4904-5295 available by request