8002-9129 Screening compound: terephthalaldehyde 1,4-bis[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]dihydrazone

8002-9129 Screening compound: terephthalaldehyde 1,4-bis[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]dihydrazone
8002-9129 Screening compound: terephthalaldehyde 1,4-bis[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]dihydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9129
terephthalaldehyde 1,4-bis[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]dihydrazone

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

8002-9129

Molecular Formula

C40H34N16O6 (C40 H34 N16 O6)

Compound Name

terephthalaldehyde 1,4-bis[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]dihydrazone

IUPAC name

N2-(4-methoxyphenyl)-6-[(2E)-2-({4-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-[(4-nitrophenyl)amino]-135-triazin-2-yl}hydrazin-1-ylidene)methyl]phenyl}methylidene)hydrazin-1-yl]-N4-(4-nitrophenyl)-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c2ccc(/C=N/Nc3nc(Nc(cc4)ccc4OC)nc(Nc(cc4)ccc4[N+]([O-])=O)n3)cc2)n1

InChI

InChI=1S/C40H34N16O6/c1-61-33-19-11-29(12-20-33)45-37-47-35(43-27-7-15-31(16-8-27)55(57)58)49-39(51-37)53-41-23-25-3-5-26(6-4-25)24-42-54-40-50-36(44-28-9-17-32(18-10-28)56(59)60)48-38(52-40)46-30-13-21-34(62-2)22-14-30/h3-24H,1-2H3,(H3,43,45,47,49,51,53)(H3,44,46,48,50,52,54)

InChI Key

ATAQOQIKQHTBHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

834.81

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

22

Partition Coefficient, logP

10.482

Distribution Coefficient, logD

10.481

Water Solubility, LogSw

-6.10

Polar Surface Area

226.551

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 8002-9129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9129?
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What is the minimum amount of 8002-9129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9129
  • 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 8002-9129 available by request