6732-0041 Screening compound: 2-[(4-hydroxyphenyl)(4-toluidino)methyl]-4-methyl-1,3,2lambda~5~-dioxaphosphinane-2-thione

6732-0041 Screening compound: 2-[(4-hydroxyphenyl)(4-toluidino)methyl]-4-methyl-1,3,2lambda~5~-dioxaphosphinane-2-thione
6732-0041 Screening compound: 2-[(4-hydroxyphenyl)(4-toluidino)methyl]-4-methyl-1,3,2lambda~5~-dioxaphosphinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0041
2-[(4-hydroxyphenyl)(4-toluidino)methyl]-4-methyl-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

6732-0041

Molecular Formula

C18H22NO3PS (C18 H22 NO3 PS)

Compound Name

2-[(4-hydroxyphenyl)(4-toluidino)methyl]-4-methyl-1,3,2lambda~5~-dioxaphosphinane-2-thione

IUPAC name

2-[(4-hydroxyphenyl)[(4-methylphenyl)amino]methyl]-4-methyl-132lambda5-dioxaphosphinane-2-thione

SMILES

CC(CCO1)OP1(C(c(cc1)ccc1O)Nc1ccc(C)cc1)=S

InChI

InChI=1S/C18H22NO3PS/c1-13-3-7-16(8-4-13)19-18(15-5-9-17(20)10-6-15)23(24)21-12-11-14(2)22-23/h3-10,14,18-20H,11-12H2,1-2H3

InChI Key

LBGFWLCKGMMHPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.701

Water Solubility, LogSw

-4.50

Polar Surface Area

41.607

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 6732-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0041?
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What is the minimum amount of 6732-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0041
  • 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 6732-0041 available by request