3229-0122 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-bromo-6-ethoxyphenol

3229-0122 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-bromo-6-ethoxyphenol
3229-0122 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-bromo-6-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0122
4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-bromo-6-ethoxyphenol

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

3229-0122

Molecular Formula

C22H30BrN7O2 (C22 H30 BrN7 O2)

Compound Name

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

IUPAC name

4-[(E)-{2-[46-bis(piperidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-bromo-6-ethoxyphenol

SMILES

CCOc1cc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc(Br)c1O

InChI

InChI=1S/C22H30BrN7O2/c1-2-32-18-14-16(13-17(23)19(18)31)15-24-28-20-25-21(29-9-5-3-6-10-29)27-22(26-20)30-11-7-4-8-12-30/h13-15,31H,2-12H2,1H3,(H,25,26,27,28)

InChI Key

VFQJZTRTFOUPST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00609446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.533

Distribution Coefficient, logD

6.460

Water Solubility, LogSw

-5.53

Polar Surface Area

79.824

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with 3229-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0122?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0122
  • 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 3229-0122 available by request