8008-5369 Screening compound: 4-[(Z)-{2-[4-(4-benzylpiperidin-1-yl)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2,6-dibromophenol

8008-5369 Screening compound: 4-[(Z)-{2-[4-(4-benzylpiperidin-1-yl)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2,6-dibromophenol
8008-5369 Screening compound: 4-[(Z)-{2-[4-(4-benzylpiperidin-1-yl)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2,6-dibromophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5369
4-[(Z)-{2-[4-(4-benzylpiperidin-1-yl)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2,6-dibromophenol

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

8008-5369

Molecular Formula

C29H29Br2N7O (C29 H29 Br2 N7 O)

Compound Name

4-[(Z)-{2-[4-(4-benzylpiperidin-1-yl)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2,6-dibromophenol

IUPAC name

4-[(Z)-{2-[4-(4-benzylpiperidin-1-yl)-6-[(4-methylphenyl)amino]-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-26-dibromophenol

SMILES

Cc(cc1)ccc1Nc1nc(N/N=C\c(cc2Br)cc(Br)c2O)nc(N2CCC(Cc3ccccc3)CC2)n1

InChI

InChI=1S/C29H29Br2N7O/c1-19-7-9-23(10-8-19)33-27-34-28(37-32-18-22-16-24(30)26(39)25(31)17-22)36-29(35-27)38-13-11-21(12-14-38)15-20-5-3-2-4-6-20/h2-10,16-18,21,39H,11-15H2,1H3,(H2,33,34,35,36,37)

InChI Key

XSACYUPQAXRMID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305265

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

651.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

9.258

Distribution Coefficient, logD

8.959

Water Solubility, LogSw

-5.79

Polar Surface Area

80.010

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

8008-5369 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 8008-5369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5369?
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What is the minimum amount of 8008-5369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5369
  • 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 8008-5369 available by request