2516-0524 Screening compound: 2-[(E)-[(4-acetamidophenyl)imino]methyl]phenyl 2-bromobenzoate

2516-0524 Screening compound: 2-[(E)-[(4-acetamidophenyl)imino]methyl]phenyl 2-bromobenzoate
2516-0524 Screening compound: 2-[(E)-[(4-acetamidophenyl)imino]methyl]phenyl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2516-0524
2-[(E)-[(4-acetamidophenyl)imino]methyl]phenyl 2-bromobenzoate

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

2516-0524

Molecular Formula

C22H17BrN2O3 (C22 H17 BrN2 O3)

Compound Name

2-[(E)-[(4-acetamidophenyl)imino]methyl]phenyl 2-bromobenzoate

IUPAC name

2-[(E)-[(4-acetamidophenyl)imino]methyl]phenyl 2-bromobenzoate

SMILES

CC(Nc(cc1)ccc1/N=C/c(cccc1)c1OC(c(cccc1)c1Br)=O)=O

InChI

InChI=1S/C22H17BrN2O3/c1-15(26)25-18-12-10-17(11-13-18)24-14-16-6-2-5-9-21(16)28-22(27)19-7-3-4-8-20(19)23/h2-14H,1H3,(H,25,26)

InChI Key

DAXFWCQJGFPXKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02280460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.50

Polar Surface Area

52.092

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2516-0524 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2516-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2516-0524?
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What is the minimum amount of 2516-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2516-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2516-0524
  • 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 2516-0524 available by request