0958-0120 Screening compound: N-{3-[(E)-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]amino]phenyl}benzamide

0958-0120 Screening compound: N-{3-[(E)-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]amino]phenyl}benzamide
0958-0120 Screening compound: N-{3-[(E)-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]amino]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0958-0120
N-{3-[(E)-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]amino]phenyl}benzamide

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

0958-0120

Molecular Formula

C21H17BrN2O3 (C21 H17 BrN2 O3)

Compound Name

N-{3-[(E)-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]amino]phenyl}benzamide

IUPAC name

N-{3-[(E)-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]amino]phenyl}benzamide

SMILES

COc(cc(cc1/C=N/c2cc(NC(c3ccccc3)=O)ccc2)Br)c1O

InChI

InChI=1S/C21H17BrN2O3/c1-27-19-11-16(22)10-15(20(19)25)13-23-17-8-5-9-18(12-17)24-21(26)14-6-3-2-4-7-14/h2-13,25H,1H3,(H,24,26)

InChI Key

WKQNFYQFYMPNFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00295651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.782

Distribution Coefficient, logD

4.661

Water Solubility, LogSw

-4.45

Polar Surface Area

54.567

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

0958-0120 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0958-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0958-0120?
Check Price and Availability of 0958-0120, 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 0958-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0958-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0958-0120
  • 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 0958-0120 available by request