0596-0094 Screening compound: 2-[(E)-[(4-{[1,1'-biphenyl]-4-yl}-1-[(E)-[(3-nitrophenyl)methylidene]amino]-1H-imidazol-2-yl)imino]methyl]-4,6-dibromophenol

0596-0094 Screening compound: 2-[(E)-[(4-{[1,1'-biphenyl]-4-yl}-1-[(E)-[(3-nitrophenyl)methylidene]amino]-1H-imidazol-2-yl)imino]methyl]-4,6-dibromophenol
0596-0094 Screening compound: 2-[(E)-[(4-{[1,1'-biphenyl]-4-yl}-1-[(E)-[(3-nitrophenyl)methylidene]amino]-1H-imidazol-2-yl)imino]methyl]-4,6-dibromophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0596-0094
2-[(E)-[(4-{[1,1'-biphenyl]-4-yl}-1-[(E)-[(3-nitrophenyl)methylidene]amino]-1H-imidazol-2-yl)imino]methyl]-4,6-dibromophenol

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

0596-0094

Molecular Formula

C29H19Br2N5O3 (C29 H19 Br2 N5 O3)

Compound Name

2-[(E)-[(4-{[1,1'-biphenyl]-4-yl}-1-[(E)-[(3-nitrophenyl)methylidene]amino]-1H-imidazol-2-yl)imino]methyl]-4,6-dibromophenol

IUPAC name

2-[(E)-[(4-{[11'-biphenyl]-4-yl}-1-[(E)-[(3-nitrophenyl)methylidene]amino]-1H-imidazol-2-yl)imino]methyl]-46-dibromophenol

SMILES

[O-][N+](c1cccc(/C=N/n2c(/N=C/c3cc(Br)cc(Br)c3O)nc(-c(cc3)ccc3-c3ccccc3)c2)c1)=O

InChI

InChI=1S/C29H19Br2N5O3/c30-24-14-23(28(37)26(31)15-24)17-32-29-34-27(22-11-9-21(10-12-22)20-6-2-1-3-7-20)18-35(29)33-16-19-5-4-8-25(13-19)36(38)39/h1-18,37H

InChI Key

SUQXBYMRZVMNMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

645.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.412

Distribution Coefficient, logD

8.354

Water Solubility, LogSw

-6.28

Polar Surface Area

79.299

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0596-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0596-0094?
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What is the minimum amount of 0596-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0596-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0596-0094
  • 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 0596-0094 available by request