8007-5924 Screening compound: phosphonium, [2-(2,4-dichlorophenyl)-1,6-dihydro-4-(methylthio)-6-oxo-5-pyrimidinyl]triphenyl-, inner salt

8007-5924 Screening compound: phosphonium, [2-(2,4-dichlorophenyl)-1,6-dihydro-4-(methylthio)-6-oxo-5-pyrimidinyl]triphenyl-, inner salt
8007-5924 Screening compound: phosphonium, [2-(2,4-dichlorophenyl)-1,6-dihydro-4-(methylthio)-6-oxo-5-pyrimidinyl]triphenyl-, inner salt alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5924
phosphonium, [2-(2,4-dichlorophenyl)-1,6-dihydro-4-(methylthio)-6-oxo-5-pyrimidinyl]triphenyl-, inner salt

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

8007-5924

Molecular Formula

C29H21Cl2N2OPS (C29 H21 Cl2 N2 OPS)

Compound Name

phosphonium, [2-(2,4-dichlorophenyl)-1,6-dihydro-4-(methylthio)-6-oxo-5-pyrimidinyl]triphenyl-, inner salt

IUPAC name

2-(24-dichlorophenyl)-4-(methylsulfanyl)-6-oxo-5-(triphenylphosphaniumyl)-16-dihydropyrimidin-1-ide

SMILES

CSC(N=C(c(ccc(Cl)c1)c1Cl)[N-]C1=O)=C1[P+](c1ccccc1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C29H21Cl2N2OPS/c1-36-29-26(28(34)32-27(33-29)24-18-17-20(30)19-25(24)31)35(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3

InChI Key

UISQCNGJMKKCNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00690696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.002

Distribution Coefficient, logD

8.002

Water Solubility, LogSw

-6.59

Polar Surface Area

33.420

Acid Dissociation Constant (pKa)

36.97

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.45

References: we are preparing a list of scientific research reports with 8007-5924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5924?
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What is the minimum amount of 8007-5924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5924
  • 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 8007-5924 available by request