8004-1286 Screening compound: N-[(Z)-1-[(2-{(E)-1-[9-({(Z)-2-[(Z)-2-(benzoylamino)-3-(2-hydroxyphenyl)-2-propenoyl]hydrazono}methyl)[1,10]phenanthrolin-2-yl]methylidene}hydrazino)carbonyl]-2-(2-hydroxyphenyl)-1-ethenyl]benzamide

8004-1286 Screening compound: N-[(Z)-1-[(2-{(E)-1-[9-({(Z)-2-[(Z)-2-(benzoylamino)-3-(2-hydroxyphenyl)-2-propenoyl]hydrazono}methyl)[1,10]phenanthrolin-2-yl]methylidene}hydrazino)carbonyl]-2-(2-hydroxyphenyl)-1-ethenyl]benzamide
8004-1286 Screening compound: N-[(Z)-1-[(2-{(E)-1-[9-({(Z)-2-[(Z)-2-(benzoylamino)-3-(2-hydroxyphenyl)-2-propenoyl]hydrazono}methyl)[1,10]phenanthrolin-2-yl]methylidene}hydrazino)carbonyl]-2-(2-hydroxyphenyl)-1-ethenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1286
N-[(Z)-1-[(2-{(E)-1-[9-({(Z)-2-[(Z)-2-(benzoylamino)-3-(2-hydroxyphenyl)-2-propenoyl]hydrazono}methyl)[1,10]phenanthrolin-2-yl]methylidene}hydrazino)carbonyl]-2-(2-hydroxyphenyl)-1-ethenyl]benzamide

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

8004-1286

Molecular Formula

C46H34N8O6 (C46 H34 N8 O6)

Compound Name

N-[(Z)-1-[(2-{(E)-1-[9-({(Z)-2-[(Z)-2-(benzoylamino)-3-(2-hydroxyphenyl)-2-propenoyl]hydrazono}methyl)[1,10]phenanthrolin-2-yl]methylidene}hydrazino)carbonyl]-2-(2-hydroxyphenyl)-1-ethenyl]benzamide

IUPAC name

N-[(1Z)-2-(2-hydroxyphenyl)-1-{N'-[(E)-{9-[(Z)-{[(2Z)-3-(2-hydroxyphenyl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-110-phenanthrolin-2-yl}methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

SMILES

Oc1c(/C=C(/C(N/N=C/c2nc3c4nc(/C=N\NC(/C(/NC(c5ccccc5)=O)=C/c(cccc5)c5O)=O)ccc4ccc3cc2)=O)\NC(c2ccccc2)=O)cccc1

InChI

InChI=1S/C46H34N8O6/c55-39-17-9-7-15-33(39)25-37(51-43(57)31-11-3-1-4-12-31)45(59)53-47-27-35-23-21-29-19-20-30-22-24-36(50-42(30)41(29)49-35)28-48-54-46(60)38(26-34-16-8-10-18-40(34)56)52-44(58)32-13-5-2-6-14-32/h1-28,55-56H,(H,51,57)(H,52,58)(H,53,59)(H,54,60)

InChI Key

NSFMTNSQZOBLQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

794.83

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

6.687

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-6.24

Polar Surface Area

167.008

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-1286 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8004-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1286
  • 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 8004-1286 available by request