6732-0014 Screening compound: 2-[(4-ethoxyanilino)(4-methylphenyl)methyl]-1,3,2lambda~5~-dioxaphosphinane-2-thione

6732-0014 Screening compound: 2-[(4-ethoxyanilino)(4-methylphenyl)methyl]-1,3,2lambda~5~-dioxaphosphinane-2-thione
6732-0014 Screening compound: 2-[(4-ethoxyanilino)(4-methylphenyl)methyl]-1,3,2lambda~5~-dioxaphosphinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0014
2-[(4-ethoxyanilino)(4-methylphenyl)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

6732-0014

Molecular Formula

C19H24NO3PS (C19 H24 NO3 PS)

Compound Name

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

IUPAC name

2-{[(4-ethoxyphenyl)amino](4-methylphenyl)methyl}-132lambda5-dioxaphosphinane-2-thione

SMILES

CCOc(cc1)ccc1NC(c1ccc(C)cc1)P1(OCCCO1)=S

InChI

InChI=1S/C19H24NO3PS/c1-3-21-18-11-9-17(10-12-18)20-19(16-7-5-15(2)6-8-16)24(25)22-13-4-14-23-24/h5-12,19-20H,3-4,13-14H2,1-2H3/t19-/m0/s1

InChI Key

GXOHPKHYERBNQS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14711924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.33

Polar Surface Area

30.749

Acid Dissociation Constant (pKa)

18.31

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 6732-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0014?
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What is the minimum amount of 6732-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0014
  • 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 6732-0014 available by request