8006-9143 Screening compound: 6-nitro-1,3-benzodioxole-5-carbaldehyde 5-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone

8006-9143 Screening compound: 6-nitro-1,3-benzodioxole-5-carbaldehyde 5-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone
8006-9143 Screening compound: 6-nitro-1,3-benzodioxole-5-carbaldehyde 5-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9143
6-nitro-1,3-benzodioxole-5-carbaldehyde 5-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone

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

8006-9143

Molecular Formula

C30H30N8O4 (C30 H30 N8 O4)

Compound Name

6-nitro-1,3-benzodioxole-5-carbaldehyde 5-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone

IUPAC name

4-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)-6-[(2E)-2-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-135-triazin-2-amine

SMILES

Cc(cc1)ccc1Nc1nc(N/N=C/c(cc2OCOc2c2)c2[N+]([O-])=O)nc(N2CCC(Cc3ccccc3)CC2)n1

InChI

InChI=1S/C30H30N8O4/c1-20-7-9-24(10-8-20)32-28-33-29(36-31-18-23-16-26-27(42-19-41-26)17-25(23)38(39)40)35-30(34-28)37-13-11-22(12-14-37)15-21-5-3-2-4-6-21/h2-10,16-18,22H,11-15,19H2,1H3,(H2,32,33,34,35,36)

InChI Key

QCLDUJKYUXZVNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00605974

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

566.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

8.394

Distribution Coefficient, logD

8.394

Water Solubility, LogSw

-5.85

Polar Surface Area

114.727

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

References: we are preparing a list of scientific research reports with 8006-9143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9143?
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What is the minimum amount of 8006-9143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9143
  • 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 8006-9143 available by request