8002-6184 Screening compound: terephthalaldehyde 1,4-bis[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]dihydrazone

8002-6184 Screening compound: terephthalaldehyde 1,4-bis[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]dihydrazone
8002-6184 Screening compound: terephthalaldehyde 1,4-bis[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]dihydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6184
terephthalaldehyde 1,4-bis[4-(3,4-dimethylanilino)-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

8002-6184

Molecular Formula

C42H38N16O4 (C42 H38 N16 O4)

Compound Name

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

IUPAC name

N2-(34-dimethylphenyl)-6-[(2Z)-2-({4-[(Z)-(2-{4-[(34-dimethylphenyl)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

Cc(cc1)c(C)cc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C\c2ccc(/C=N\Nc3nc(Nc4cc(C)c(C)cc4)nc(Nc(cc4)ccc4[N+]([O-])=O)n3)cc2)n1

InChI

InChI=1S/C42H38N16O4/c1-25-5-11-33(21-27(25)3)47-39-49-37(45-31-13-17-35(18-14-31)57(59)60)51-41(53-39)55-43-23-29-7-9-30(10-8-29)24-44-56-42-52-38(46-32-15-19-36(20-16-32)58(61)62)50-40(54-42)48-34-12-6-26(2)28(4)22-34/h5-24H,1-4H3,(H3,45,47,49,51,53,55)(H3,46,48,50,52,54,56)

InChI Key

JPDDUJGAAFWGRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

830.87

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

20

Partition Coefficient, logP

12.492

Distribution Coefficient, logD

12.490

Water Solubility, LogSw

-5.86

Polar Surface Area

211.463

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

8002-6184 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8002-6184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6184?
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What is the minimum amount of 8002-6184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6184
  • 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 8002-6184 available by request