0596-0061 Screening compound: 4-bromo-2-[(E)-({4-phenyl-1-[(E)-(1-phenylethylidene)amino]-1H-imidazol-2-yl}imino)methyl]phenol

0596-0061 Screening compound: 4-bromo-2-[(E)-({4-phenyl-1-[(E)-(1-phenylethylidene)amino]-1H-imidazol-2-yl}imino)methyl]phenol
0596-0061 Screening compound: 4-bromo-2-[(E)-({4-phenyl-1-[(E)-(1-phenylethylidene)amino]-1H-imidazol-2-yl}imino)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0596-0061
4-bromo-2-[(E)-({4-phenyl-1-[(E)-(1-phenylethylidene)amino]-1H-imidazol-2-yl}imino)methyl]phenol

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

0596-0061

Molecular Formula

C24H19BrN4O (C24 H19 BrN4 O)

Compound Name

4-bromo-2-[(E)-({4-phenyl-1-[(E)-(1-phenylethylidene)amino]-1H-imidazol-2-yl}imino)methyl]phenol

IUPAC name

4-bromo-2-[(E)-({4-phenyl-1-[(E)-(1-phenylethylidene)amino]-1H-imidazol-2-yl}imino)methyl]phenol

SMILES

C/C(/c1ccccc1)=N\n1c(/N=C/c(cc(cc2)Br)c2O)nc(-c2ccccc2)c1

InChI

InChI=1S/C24H19BrN4O/c1-17(18-8-4-2-5-9-18)28-29-16-22(19-10-6-3-7-11-19)27-24(29)26-15-20-14-21(25)12-13-23(20)30/h2-16,30H,1H3

InChI Key

MWDFYIDUQAJDBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.589

Distribution Coefficient, logD

6.565

Water Solubility, LogSw

-5.61

Polar Surface Area

46.329

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

0596-0061 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0596-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0596-0061?
Check Price and Availability of 0596-0061, 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 0596-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0596-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0596-0061
  • 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 0596-0061 available by request