0508-1999 Screening compound: 2-[(E)-[(2-benzoyl-4-methylphenyl)imino]methyl]-4-bromophenol

0508-1999 Screening compound: 2-[(E)-[(2-benzoyl-4-methylphenyl)imino]methyl]-4-bromophenol
0508-1999 Screening compound: 2-[(E)-[(2-benzoyl-4-methylphenyl)imino]methyl]-4-bromophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0508-1999
2-[(E)-[(2-benzoyl-4-methylphenyl)imino]methyl]-4-bromophenol

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

0508-1999

Molecular Formula

C21H16BrNO2 (C21 H16 BrNO2)

Compound Name

2-[(E)-[(2-benzoyl-4-methylphenyl)imino]methyl]-4-bromophenol

IUPAC name

2-[(E)-[(2-benzoyl-4-methylphenyl)imino]methyl]-4-bromophenol

SMILES

Cc(cc1)cc(C(c2ccccc2)=O)c1/N=C/c(cc(cc1)Br)c1O

InChI

InChI=1S/C21H16BrNO2/c1-14-7-9-19(23-13-16-12-17(22)8-10-20(16)24)18(11-14)21(25)15-5-3-2-4-6-15/h2-13,24H,1H3

InChI Key

FBPIGPGDALKJFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00988120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.327

Distribution Coefficient, logD

5.264

Water Solubility, LogSw

-5.22

Polar Surface Area

37.683

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

0508-1999 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 0508-1999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0508-1999?
Check Price and Availability of 0508-1999, 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 0508-1999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0508-1999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0508-1999
  • 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 0508-1999 available by request