8005-7718 Screening compound: N-[(1E)-1-{N'-[(E)-[3-(2,4-dinitrophenoxy)phenyl]methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

8005-7718 Screening compound: N-[(1E)-1-{N'-[(E)-[3-(2,4-dinitrophenoxy)phenyl]methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide
8005-7718 Screening compound: N-[(1E)-1-{N'-[(E)-[3-(2,4-dinitrophenoxy)phenyl]methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7718
N-[(1E)-1-{N'-[(E)-[3-(2,4-dinitrophenoxy)phenyl]methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)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

8005-7718

Molecular Formula

C27H19N5O7S (C27 H19 N5 O7 S)

Compound Name

N-[(1E)-1-{N'-[(E)-[3-(2,4-dinitrophenoxy)phenyl]methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

IUPAC name

N-[(1E)-1-{N'-[(E)-[3-(24-dinitrophenoxy)phenyl]methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cccc(/C=N/NC(/C(/NC(c2ccccc2)=O)=C\c2cccs2)=O)c1)=O

InChI

InChI=1S/C27H19N5O7S/c33-26(19-7-2-1-3-8-19)29-23(16-22-10-5-13-40-22)27(34)30-28-17-18-6-4-9-21(14-18)39-25-12-11-20(31(35)36)15-24(25)32(37)38/h1-17H,(H,29,33)(H,30,34)

InChI Key

MTFZFOYKCHZBEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.54

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.92

Polar Surface Area

131.794

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8005-7718 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8005-7718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7718?
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What is the minimum amount of 8005-7718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7718
  • 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 8005-7718 available by request