3229-2830 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-[(1Z)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenol

3229-2830 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-[(1Z)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenol
3229-2830 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-[(1Z)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2830
2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-[(1Z)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]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

3229-2830

Molecular Formula

C29H22F3N9O (C29 H22 F3 N9 O)

Compound Name

2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-[(1Z)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenol

IUPAC name

2-[(E)-{2-[46-bis(phenylamino)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-[(1Z)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenol

SMILES

Oc(cc1)c(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1/N=N\c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C29H22F3N9O/c30-29(31,32)20-8-7-13-23(17-20)39-40-24-14-15-25(42)19(16-24)18-33-41-28-37-26(34-21-9-3-1-4-10-21)36-27(38-28)35-22-11-5-2-6-12-22/h1-18,42H,(H3,34,35,36,37,38,41)

InChI Key

MKLWPBIUNYNEAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

8.917

Distribution Coefficient, logD

8.914

Water Solubility, LogSw

-6.29

Polar Surface Area

110.705

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

3229-2830 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 3229-2830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2830?
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What is the minimum amount of 3229-2830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2830
  • 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 3229-2830 available by request