8003-0871 Screening compound: terephthalaldehyde 1,4-bis[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]dihydrazone

8003-0871 Screening compound: terephthalaldehyde 1,4-bis[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]dihydrazone
8003-0871 Screening compound: terephthalaldehyde 1,4-bis[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]dihydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0871
terephthalaldehyde 1,4-bis[4-anilino-6-(4-methoxyanilino)-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

8003-0871

Molecular Formula

C40H36N14O2 (C40 H36 N14 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1Nc1nc(Nc2ccccc2)nc(N/N=C/c2ccc(/C=N/Nc3nc(Nc4ccccc4)nc(Nc(cc4)ccc4OC)n3)cc2)n1

InChI

InChI=1S/C40H36N14O2/c1-55-33-21-17-31(18-22-33)45-37-47-35(43-29-9-5-3-6-10-29)49-39(51-37)53-41-25-27-13-15-28(16-14-27)26-42-54-40-50-36(44-30-11-7-4-8-12-30)48-38(52-40)46-32-19-23-34(56-2)24-20-32/h3-26H,1-2H3,(H3,43,45,47,49,51,53)(H3,44,46,48,50,52,54)

InChI Key

SEPAPGDBSXCCHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00733780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

744.82

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

10.247

Distribution Coefficient, logD

10.247

Water Solubility, LogSw

-6.14

Polar Surface Area

159.788

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 8003-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0871?
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What is the minimum amount of 8003-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0871
  • 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 8003-0871 available by request