8004-1114 Screening compound: 3-bromo-2-hydroxy-5-nitrobenzaldehyde 1-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone

8004-1114 Screening compound: 3-bromo-2-hydroxy-5-nitrobenzaldehyde 1-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone
8004-1114 Screening compound: 3-bromo-2-hydroxy-5-nitrobenzaldehyde 1-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1114
3-bromo-2-hydroxy-5-nitrobenzaldehyde 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

8004-1114

Molecular Formula

C24H20BrN9O5 (C24 H20 BrN9 O5)

Compound Name

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

IUPAC name

2-bromo-6-[(E)-(2-{4-[(34-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-135-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-nitrophenol

SMILES

Cc(cc1)c(C)cc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c2cc([N+]([O-])=O)cc(Br)c2O)n1

InChI

InChI=1S/C24H20BrN9O5/c1-13-3-4-17(9-14(13)2)28-23-29-22(27-16-5-7-18(8-6-16)33(36)37)30-24(31-23)32-26-12-15-10-19(34(38)39)11-20(25)21(15)35/h3-12,35H,1-2H3,(H3,27,28,29,30,31,32)

InChI Key

UJTNNIIGWQXPDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.38

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

8.213

Distribution Coefficient, logD

6.119

Water Solubility, LogSw

-5.73

Polar Surface Area

154.711

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

References: we are preparing a list of scientific research reports with 8004-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1114?
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What is the minimum amount of 8004-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1114
  • 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 8004-1114 available by request