3229-0007 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3,5-dinitrobenzoate

3229-0007 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3,5-dinitrobenzoate
3229-0007 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0007
4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3,5-dinitrobenzoate

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

3229-0007

Molecular Formula

C27H29N9O6 (C27 H29 N9 O6)

Compound Name

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

IUPAC name

4-[(E)-{2-[46-bis(piperidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(Oc2ccc(/C=N/Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C27H29N9O6/c37-24(20-15-21(35(38)39)17-22(16-20)36(40)41)42-23-9-7-19(8-10-23)18-28-32-25-29-26(33-11-3-1-4-12-33)31-27(30-25)34-13-5-2-6-14-34/h7-10,15-18H,1-6,11-14H2,(H,29,30,31,32)

InChI Key

OIYPSFOTBSGZBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.58

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

6.454

Distribution Coefficient, logD

6.430

Water Solubility, LogSw

-5.98

Polar Surface Area

144.276

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with 3229-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0007?
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What is the minimum amount of 3229-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0007
  • 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 3229-0007 available by request