8005-4421 Screening compound: N-(3-chloro-4-methylphenyl)-N-({N'-[(E)-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide

8005-4421 Screening compound: N-(3-chloro-4-methylphenyl)-N-({N'-[(E)-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide
8005-4421 Screening compound: N-(3-chloro-4-methylphenyl)-N-({N'-[(E)-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4421
N-(3-chloro-4-methylphenyl)-N-({N'-[(E)-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide

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

8005-4421

Molecular Formula

C27H28ClN3O5S (C27 H28 ClN3 O5 S)

Compound Name

N-(3-chloro-4-methylphenyl)-N-({N'-[(E)-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide

IUPAC name

N-(3-chloro-4-methylphenyl)-N-({N'-[(E)-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide

SMILES

CCOc(cc(/C=N/NC(CN(c1cc(Cl)c(C)cc1)S(c1ccccc1)(=O)=O)=O)cc1)c1OCC=C

InChI

InChI=1S/C27H28ClN3O5S/c1-4-15-36-25-14-12-21(16-26(25)35-5-2)18-29-30-27(32)19-31(22-13-11-20(3)24(28)17-22)37(33,34)23-9-7-6-8-10-23/h4,6-14,16-18H,1,5,15,19H2,2-3H3,(H,30,32)

InChI Key

NPNQARBPKZGVFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00494367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.379

Distribution Coefficient, logD

5.379

Water Solubility, LogSw

-6.03

Polar Surface Area

81.881

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 8005-4421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4421?
Check Price and Availability of 8005-4421, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8005-4421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4421
  • 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 8005-4421 available by request