0596-0041 Screening compound: 2-[(E)-[(4-{[1,1'-biphenyl]-4-yl}-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl)imino]methyl]-4,6-dibromophenol

0596-0041 Screening compound: 2-[(E)-[(4-{[1,1'-biphenyl]-4-yl}-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl)imino]methyl]-4,6-dibromophenol
0596-0041 Screening compound: 2-[(E)-[(4-{[1,1'-biphenyl]-4-yl}-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl)imino]methyl]-4,6-dibromophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0596-0041
2-[(E)-[(4-{[1,1'-biphenyl]-4-yl}-1-[(E)-(phenylmethylidene)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

0596-0041

Molecular Formula

C29H20Br2N4O (C29 H20 Br2 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Oc(c(/C=N/c1nc(-c(cc2)ccc2-c2ccccc2)cn1/N=C/c1ccccc1)cc(Br)c1)c1Br

InChI

InChI=1S/C29H20Br2N4O/c30-25-15-24(28(36)26(31)16-25)18-32-29-34-27(19-35(29)33-17-20-7-3-1-4-8-20)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-19,36H

InChI Key

CKLPPBKJGSVWDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

600.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.441

Distribution Coefficient, logD

8.377

Water Solubility, LogSw

-6.42

Polar Surface Area

45.917

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0596-0041 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0596-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0596-0041?
Check Price and Availability of 0596-0041, 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 0596-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0596-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0596-0041
  • 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 0596-0041 available by request