8008-5361 Screening compound: 2-[(E)-(2-{4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

8008-5361 Screening compound: 2-[(E)-(2-{4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol
8008-5361 Screening compound: 2-[(E)-(2-{4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5361
2-[(E)-(2-{4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

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

8008-5361

Molecular Formula

C21H21BrN8O4 (C21 H21 BrN8 O4)

Compound Name

2-[(E)-(2-{4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

IUPAC name

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

SMILES

Cc(cc1)cc(Br)c1Nc1nc(N2CCOCC2)nc(N/N=C/c(cccc2[N+]([O-])=O)c2O)n1

InChI

InChI=1S/C21H21BrN8O4/c1-13-5-6-16(15(22)11-13)24-19-25-20(27-21(26-19)29-7-9-34-10-8-29)28-23-12-14-3-2-4-17(18(14)31)30(32)33/h2-6,11-12,31H,7-10H2,1H3,(H2,24,25,26,27,28)

InChI Key

NWVZHDVMWCWBIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00642172

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

529.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.985

Distribution Coefficient, logD

5.051

Water Solubility, LogSw

-5.44

Polar Surface Area

120.572

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8008-5361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5361?
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What is the minimum amount of 8008-5361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5361
  • 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 8008-5361 available by request