3229-0540 Screening compound: 4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl benzoate

3229-0540 Screening compound: 4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl benzoate
3229-0540 Screening compound: 4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0540
4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl benzoate

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

3229-0540

Molecular Formula

C29H23N7O2 (C29 H23 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccccc1)Oc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1

InChI

InChI=1S/C29H23N7O2/c37-26(22-10-4-1-5-11-22)38-25-18-16-21(17-19-25)20-30-36-29-34-27(31-23-12-6-2-7-13-23)33-28(35-29)32-24-14-8-3-9-15-24/h1-20H,(H3,31,32,33,34,35,36)

InChI Key

DVZWWTJRUCYLBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01008624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.039

Distribution Coefficient, logD

7.038

Water Solubility, LogSw

-6.25

Polar Surface Area

92.847

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3229-0540 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 3229-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0540?
Check Price and Availability of 3229-0540, 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 3229-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0540
  • 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 3229-0540 available by request