1218-2177 Screening compound: 2-[(E)-[(4-methoxyphenyl)imino]methyl]-6-nitrophenol

1218-2177 Screening compound: 2-[(E)-[(4-methoxyphenyl)imino]methyl]-6-nitrophenol
1218-2177 Screening compound: 2-[(E)-[(4-methoxyphenyl)imino]methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1218-2177
2-[(E)-[(4-methoxyphenyl)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

1218-2177

Molecular Formula

C14H12N2O4 (C14 H12 N2 O4)

Compound Name

2-[(E)-[(4-methoxyphenyl)imino]methyl]-6-nitrophenol

IUPAC name

2-[(E)-[(4-methoxyphenyl)imino]methyl]-6-nitrophenol

SMILES

COc(cc1)ccc1/N=C/c1cccc([N+]([O-])=O)c1O

InChI

InChI=1S/C14H12N2O4/c1-20-12-7-5-11(6-8-12)15-9-10-3-2-4-13(14(10)17)16(18)19/h2-9,17H,1H3

InChI Key

HXSJOALSTMCZFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00774681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

1.347

Water Solubility, LogSw

-3.41

Polar Surface Area

64.469

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1218-2177 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 1218-2177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1218-2177?
Check Price and Availability of 1218-2177, 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 1218-2177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1218-2177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1218-2177
  • 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 1218-2177 available by request