8003-8897 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-4-nitrobenzamide

8003-8897 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-4-nitrobenzamide
8003-8897 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8897
N-[2-(benzylsulfanyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-4-nitrobenzamide

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

8003-8897

Molecular Formula

C27H26N4O5S (C27 H26 N4 O5 S)

Compound Name

N-[2-(benzylsulfanyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-4-nitrobenzamide

IUPAC name

N-[2-(benzylsulfanyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-4-nitrobenzamide

SMILES

C=CCOc1ccc(/C=N/NC(C(CSCc2ccccc2)NC(c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1

InChI

InChI=1S/C27H26N4O5S/c1-2-16-36-24-14-8-20(9-15-24)17-28-30-27(33)25(19-37-18-21-6-4-3-5-7-21)29-26(32)22-10-12-23(13-11-22)31(34)35/h2-15,17,25H,1,16,18-19H2,(H,29,32)(H,30,33)/t25-/m0/s1

InChI Key

CDYKJGHXAZIRNW-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00471547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.735

Distribution Coefficient, logD

4.734

Water Solubility, LogSw

-4.82

Polar Surface Area

100.397

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 8003-8897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8897?
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What is the minimum amount of 8003-8897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8897
  • 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 8003-8897 available by request