8008-5376 Screening compound: 2-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4,6-dinitrophenol

8008-5376 Screening compound: 2-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4,6-dinitrophenol
8008-5376 Screening compound: 2-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4,6-dinitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5376
2-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4,6-dinitrophenol

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

8008-5376

Molecular Formula

C20H18FN9O6 (C20 H18 FN9 O6)

Compound Name

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

IUPAC name

2-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(morpholin-4-yl)-135-triazin-2-yl}hydrazin-1-ylidene)methyl]-46-dinitrophenol

SMILES

[O-][N+](c(cc1[N+]([O-])=O)cc(/C=N/Nc2nc(Nc(cc3)ccc3F)nc(N3CCOCC3)n2)c1O)=O

InChI

InChI=1S/C20H18FN9O6/c21-13-1-3-14(4-2-13)23-18-24-19(26-20(25-18)28-5-7-36-8-6-28)27-22-11-12-9-15(29(32)33)10-16(17(12)31)30(34)35/h1-4,9-11,31H,5-8H2,(H2,23,24,25,26,27)

InChI Key

SDKSBUCDPMPDAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00641831

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

499.42

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

5.061

Distribution Coefficient, logD

1.227

Water Solubility, LogSw

-4.76

Polar Surface Area

154.652

Acid Dissociation Constant (pKa)

3.57

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 8008-5376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5376?
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What is the minimum amount of 8008-5376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5376
  • 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 8008-5376 available by request