8007-0049 Screening compound: 2-hydroxy-3-nitrobenzaldehyde 1-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone

8007-0049 Screening compound: 2-hydroxy-3-nitrobenzaldehyde 1-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone
8007-0049 Screening compound: 2-hydroxy-3-nitrobenzaldehyde 1-[4-(4-benzylpiperidino)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0049
2-hydroxy-3-nitrobenzaldehyde 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

8007-0049

Molecular Formula

C29H30N8O3 (C29 H30 N8 O3)

Compound Name

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

IUPAC name

2-[(E)-{2-[4-(4-benzylpiperidin-1-yl)-6-[(4-methylphenyl)amino]-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-6-nitrophenol

SMILES

Cc(cc1)ccc1Nc1nc(N/N=C/c2cccc([N+]([O-])=O)c2O)nc(N2CCC(Cc3ccccc3)CC2)n1

InChI

InChI=1S/C29H30N8O3/c1-20-10-12-24(13-11-20)31-27-32-28(35-30-19-23-8-5-9-25(26(23)38)37(39)40)34-29(33-27)36-16-14-22(15-17-36)18-21-6-3-2-4-7-21/h2-13,19,22,38H,14-18H2,1H3,(H2,31,32,33,34,35)

InChI Key

SQKWIRYJPNULDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00607177

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

538.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

8.526

Distribution Coefficient, logD

7.592

Water Solubility, LogSw

-5.96

Polar Surface Area

113.090

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.14

8007-0049 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 8007-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0049?
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What is the minimum amount of 8007-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0049
  • 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 8007-0049 available by request