2548-0450 Screening compound: [(1Z,4Z)-4-{[(2-phenylacetyl)oxy]imino}cyclohexa-2,5-dien-1-ylidene]amino benzoate

2548-0450 Screening compound: [(1Z,4Z)-4-{[(2-phenylacetyl)oxy]imino}cyclohexa-2,5-dien-1-ylidene]amino benzoate
2548-0450 Screening compound: [(1Z,4Z)-4-{[(2-phenylacetyl)oxy]imino}cyclohexa-2,5-dien-1-ylidene]amino benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2548-0450
[(1Z,4Z)-4-{[(2-phenylacetyl)oxy]imino}cyclohexa-2,5-dien-1-ylidene]amino benzoate

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

2548-0450

Molecular Formula

C21H16N2O4 (C21 H16 N2 O4)

Compound Name

[(1Z,4Z)-4-{[(2-phenylacetyl)oxy]imino}cyclohexa-2,5-dien-1-ylidene]amino benzoate

IUPAC name

[(1Z4Z)-4-{[(2-phenylacetyl)oxy]imino}cyclohexa-25-dien-1-ylidene]amino benzoate

SMILES

O=C(Cc1ccccc1)O/N=C(\C=C1)/C=C/C1=N/OC(c1ccccc1)=O

InChI

InChI=1S/C21H16N2O4/c24-20(15-16-7-3-1-4-8-16)26-22-18-11-13-19(14-12-18)23-27-21(25)17-9-5-2-6-10-17/h1-14H,15H2

InChI Key

LQQYBRZEQAAPST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.578

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.60

Polar Surface Area

63.952

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2548-0450 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2548-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2548-0450?
Check Price and Availability of 2548-0450, 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 2548-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2548-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2548-0450
  • 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 2548-0450 available by request