8004-1533 Screening compound: 2-hydroxy-1-naphthaldehyde 1-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone

8004-1533 Screening compound: 2-hydroxy-1-naphthaldehyde 1-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone
8004-1533 Screening compound: 2-hydroxy-1-naphthaldehyde 1-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1533
2-hydroxy-1-naphthaldehyde 1-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-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

8004-1533

Molecular Formula

C28H24N8O3 (C28 H24 N8 O3)

Compound Name

2-hydroxy-1-naphthaldehyde 1-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone

IUPAC name

1-[(Z)-(2-{4-[(34-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-135-triazin-2-yl}hydrazin-1-ylidene)methyl]naphthalen-2-ol

SMILES

Cc(cc1)c(C)cc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C\c(c2ccccc2cc2)c2O)n1

InChI

InChI=1S/C28H24N8O3/c1-17-7-9-21(15-18(17)2)31-27-32-26(30-20-10-12-22(13-11-20)36(38)39)33-28(34-27)35-29-16-24-23-6-4-3-5-19(23)8-14-25(24)37/h3-16,37H,1-2H3,(H3,30,31,32,33,34,35)

InChI Key

JCNOCVMTQWTLPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

8.463

Distribution Coefficient, logD

8.456

Water Solubility, LogSw

-6.72

Polar Surface Area

122.127

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8004-1533 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8004-1533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1533?
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What is the minimum amount of 8004-1533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1533
  • 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 8004-1533 available by request