3229-0564 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-iodophenol

3229-0564 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-iodophenol
3229-0564 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-iodophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0564
2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-iodophenol

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

3229-0564

Molecular Formula

C22H18IN7O (C22 H18 IN7 O)

Compound Name

2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-iodophenol

IUPAC name

2-[(E)-{2-[46-bis(phenylamino)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-iodophenol

SMILES

Oc(cc1)c(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1I

InChI

InChI=1S/C22H18IN7O/c23-16-11-12-19(31)15(13-16)14-24-30-22-28-20(25-17-7-3-1-4-8-17)27-21(29-22)26-18-9-5-2-6-10-18/h1-14,31H,(H3,25,26,27,28,29,30)

InChI Key

OBFZVCLVLCAHAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00332495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.538

Distribution Coefficient, logD

7.530

Water Solubility, LogSw

-6.09

Polar Surface Area

89.017

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3229-0564 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3229-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0564?
Check Price and Availability of 3229-0564, 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 3229-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0564
  • 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 3229-0564 available by request