3229-0152 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate

3229-0152 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate
3229-0152 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0152
4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate

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

3229-0152

Molecular Formula

C28H32N8O5 (C28 H32 N8 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C28H32N8O5/c1-40-24-18-20(8-13-23(24)41-25(37)21-9-11-22(12-10-21)36(38)39)19-29-33-26-30-27(34-14-4-2-5-15-34)32-28(31-26)35-16-6-3-7-17-35/h8-13,18-19H,2-7,14-17H2,1H3,(H,30,31,32,33)

InChI Key

RKMGJRKPEAVNEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01021916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

6.893

Distribution Coefficient, logD

6.800

Water Solubility, LogSw

-5.68

Polar Surface Area

118.611

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with 3229-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0152
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0152
  • 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 3229-0152 available by request