0257-0079 Screening compound: 2-[(E)-[(5-chloro-2-hydroxyphenyl)imino]methyl]-6-nitrophenol

0257-0079 Screening compound: 2-[(E)-[(5-chloro-2-hydroxyphenyl)imino]methyl]-6-nitrophenol
0257-0079 Screening compound: 2-[(E)-[(5-chloro-2-hydroxyphenyl)imino]methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0257-0079
2-[(E)-[(5-chloro-2-hydroxyphenyl)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

0257-0079

Molecular Formula

C13H9ClN2O4 (C13 H9 ClN2 O4)

Compound Name

2-[(E)-[(5-chloro-2-hydroxyphenyl)imino]methyl]-6-nitrophenol

IUPAC name

2-[(E)-[(5-chloro-2-hydroxyphenyl)imino]methyl]-6-nitrophenol

SMILES

[O-][N+](c1cccc(/C=N/c(cc(cc2)Cl)c2O)c1O)=O

InChI

InChI=1S/C13H9ClN2O4/c14-9-4-5-12(17)10(6-9)15-7-8-2-1-3-11(13(8)18)16(19)20/h1-7,17-18H

InChI Key

ZKJMTCSNIQRWJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00602480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.68

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

3.684

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-3.70

Polar Surface Area

72.776

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0257-0079 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0257-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0257-0079?
Check Price and Availability of 0257-0079, 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 0257-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0257-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0257-0079
  • 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 0257-0079 available by request