8005-3545 Screening compound: [(1Z)-2-(ethylsulfanyl)-1-[(4-methylphenyl)formamido]ethenyl]triphenylphosphanium

8005-3545 Screening compound: [(1Z)-2-(ethylsulfanyl)-1-[(4-methylphenyl)formamido]ethenyl]triphenylphosphanium
8005-3545 Screening compound: [(1Z)-2-(ethylsulfanyl)-1-[(4-methylphenyl)formamido]ethenyl]triphenylphosphanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3545
[(1Z)-2-(ethylsulfanyl)-1-[(4-methylphenyl)formamido]ethenyl]triphenylphosphanium

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

8005-3545

Molecular Formula

C30H29NOPS (C30 H29 NOPS)

Compound Name

[(1Z)-2-(ethylsulfanyl)-1-[(4-methylphenyl)formamido]ethenyl]triphenylphosphanium

IUPAC name

[(1Z)-2-(ethylsulfanyl)-1-[(4-methylphenyl)formamido]ethenyl]triphenylphosphanium

SMILES

CCS/C=C(/NC(c1ccc(C)cc1)=O)\[P+](c1ccccc1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C30H28NOPS/c1-3-34-23-29(31-30(32)25-21-19-24(2)20-22-25)33(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-23H,3H2,1-2H3/p+1

InChI Key

OFNORTHMEYKHPO-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00690620

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

482.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.733

Distribution Coefficient, logD

7.624

Water Solubility, LogSw

-5.84

Polar Surface Area

21.412

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 8005-3545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3545?
Check Price and Availability of 8005-3545, 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 8005-3545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3545
  • 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 8005-3545 available by request