6732-0046 Screening compound: 2-[anilino(phenyl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione

6732-0046 Screening compound: 2-[anilino(phenyl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione
6732-0046 Screening compound: 2-[anilino(phenyl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0046
2-[anilino(phenyl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione

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

6732-0046

Molecular Formula

C18H22NO2PS (C18 H22 NO2 PS)

Compound Name

2-[anilino(phenyl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione

IUPAC name

55-dimethyl-2-[phenyl(phenylamino)methyl]-132lambda5-dioxaphosphinane-2-thione

SMILES

CC(C)(CO1)COP1(C(c1ccccc1)Nc1ccccc1)=S

InChI

InChI=1S/C18H22NO2PS/c1-18(2)13-20-22(23,21-14-18)17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3/t17-/m0/s1

InChI Key

NLHVYZATEADHDO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00397407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.150

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-5.19

Polar Surface Area

24.621

Acid Dissociation Constant (pKa)

18.64

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 6732-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0046?
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What is the minimum amount of 6732-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0046
  • 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 6732-0046 available by request