8006-9039 Screening compound: 2,4-dichlorobenzaldehyde 1-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone

8006-9039 Screening compound: 2,4-dichlorobenzaldehyde 1-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone
8006-9039 Screening compound: 2,4-dichlorobenzaldehyde 1-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9039
2,4-dichlorobenzaldehyde 1-[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

8006-9039

Molecular Formula

C29H29Cl2N7 (C29 H29 Cl2 N7)

Compound Name

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

IUPAC name

4-(4-benzylpiperidin-1-yl)-6-[(2E)-2-[(24-dichlorophenyl)methylidene]hydrazin-1-yl]-N-(4-methylphenyl)-135-triazin-2-amine

SMILES

Cc(cc1)ccc1Nc1nc(N/N=C/c(ccc(Cl)c2)c2Cl)nc(N2CCC(Cc3ccccc3)CC2)n1

InChI

InChI=1S/C29H29Cl2N7/c1-20-7-11-25(12-8-20)33-27-34-28(37-32-19-23-9-10-24(30)18-26(23)31)36-29(35-27)38-15-13-22(14-16-38)17-21-5-3-2-4-6-21/h2-12,18-19,22H,13-17H2,1H3,(H2,33,34,35,36,37)

InChI Key

BWMAEQNTODJPFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00605961

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

546.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

10.128

Distribution Coefficient, logD

10.128

Water Solubility, LogSw

-6.61

Polar Surface Area

64.530

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.14

8006-9039 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8006-9039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9039?
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What is the minimum amount of 8006-9039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9039
  • 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 8006-9039 available by request