0958-0317 Screening compound: 4-chloro-2-[(E)-[(2-hydroxy-3,5-dimethylphenyl)imino]methyl]-6-nitrophenol

0958-0317 Screening compound: 4-chloro-2-[(E)-[(2-hydroxy-3,5-dimethylphenyl)imino]methyl]-6-nitrophenol
0958-0317 Screening compound: 4-chloro-2-[(E)-[(2-hydroxy-3,5-dimethylphenyl)imino]methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0958-0317
4-chloro-2-[(E)-[(2-hydroxy-3,5-dimethylphenyl)imino]methyl]-6-nitrophenol

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

0958-0317

Molecular Formula

C15H13ClN2O4 (C15 H13 ClN2 O4)

Compound Name

4-chloro-2-[(E)-[(2-hydroxy-3,5-dimethylphenyl)imino]methyl]-6-nitrophenol

IUPAC name

4-chloro-2-[(E)-[(2-hydroxy-35-dimethylphenyl)imino]methyl]-6-nitrophenol

SMILES

Cc(cc1C)cc(/N=C/c2cc(Cl)cc([N+]([O-])=O)c2O)c1O

InChI

InChI=1S/C15H13ClN2O4/c1-8-3-9(2)14(19)12(4-8)17-7-10-5-11(16)6-13(15(10)20)18(21)22/h3-7,19-20H,1-2H3

InChI Key

SRZDKMCDLLZLRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00645790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.412

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-4.42

Polar Surface Area

71.707

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 0958-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0958-0317?
Check Price and Availability of 0958-0317, 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 0958-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0958-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0958-0317
  • 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 0958-0317 available by request