8004-1585 Screening compound: N-[(1E)-2-(2-hydroxyphenyl)-1-{N'-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

8004-1585 Screening compound: N-[(1E)-2-(2-hydroxyphenyl)-1-{N'-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide
8004-1585 Screening compound: N-[(1E)-2-(2-hydroxyphenyl)-1-{N'-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1585
N-[(1E)-2-(2-hydroxyphenyl)-1-{N'-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}eth-1-en-1-yl]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

8004-1585

Molecular Formula

C27H20N4O6 (C27 H20 N4 O6)

Compound Name

N-[(1E)-2-(2-hydroxyphenyl)-1-{N'-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

IUPAC name

N-[(1E)-2-(2-hydroxyphenyl)-1-{N'-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

SMILES

[O-][N+](c(cc1)ccc1-c1ccc(/C=N/NC(/C(/NC(c2ccccc2)=O)=C\c(cccc2)c2O)=O)o1)=O

InChI

InChI=1S/C27H20N4O6/c32-24-9-5-4-8-20(24)16-23(29-26(33)19-6-2-1-3-7-19)27(34)30-28-17-22-14-15-25(37-22)18-10-12-21(13-11-18)31(35)36/h1-17,32H,(H,29,33)(H,30,34)

InChI Key

SFWBHLYJZNERSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-5.48

Polar Surface Area

114.978

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-1585 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8004-1585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1585?
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What is the minimum amount of 8004-1585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1585
  • 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 8004-1585 available by request