8004-4468 Screening compound: 2-bromo-6-[(Z)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-nitrophenol

8004-4468 Screening compound: 2-bromo-6-[(Z)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-nitrophenol
8004-4468 Screening compound: 2-bromo-6-[(Z)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4468
2-bromo-6-[(Z)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-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

8004-4468

Molecular Formula

C20H18BrN9O6 (C20 H18 BrN9 O6)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(N/N=C\c2cc([N+]([O-])=O)cc(Br)c2O)nc(N2CCOCC2)n1)=O

InChI

InChI=1S/C20H18BrN9O6/c21-16-10-15(30(34)35)9-12(17(16)31)11-22-27-19-24-18(23-13-1-3-14(4-2-13)29(32)33)25-20(26-19)28-5-7-36-8-6-28/h1-4,9-11,31H,5-8H2,(H2,23,24,25,26,27)

InChI Key

SMOCZUWICOKVEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.32

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

5.672

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-5.66

Polar Surface Area

154.953

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8004-4468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4468?
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What is the minimum amount of 8004-4468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4468
  • 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 8004-4468 available by request