6732-0096 Screening compound: 2-[(4-ethoxyanilino)(1H-indol-3-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one

6732-0096 Screening compound: 2-[(4-ethoxyanilino)(1H-indol-3-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
6732-0096 Screening compound: 2-[(4-ethoxyanilino)(1H-indol-3-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0096
2-[(4-ethoxyanilino)(1H-indol-3-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one

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

6732-0096

Molecular Formula

C22H27N2O4P (C22 H27 N2 O4 P)

Compound Name

2-[(4-ethoxyanilino)(1H-indol-3-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one

IUPAC name

2-{[(4-ethoxyphenyl)amino](1H-indol-3-yl)methyl}-55-dimethyl-132lambda5-dioxaphosphinan-2-one

SMILES

CCOc(cc1)ccc1NC(c1c[nH]c2c1cccc2)P1(OCC(C)(C)CO1)=O

InChI

InChI=1S/C22H27N2O4P/c1-4-26-17-11-9-16(10-12-17)24-21(29(25)27-14-22(2,3)15-28-29)19-13-23-20-8-6-5-7-18(19)20/h5-13,21,23-24H,4,14-15H2,1-3H3/t21-/m0/s1

InChI Key

SQMPQBKNXYLZHG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD26961319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.28

Polar Surface Area

55.928

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 6732-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0096?
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What is the minimum amount of 6732-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0096
  • 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 6732-0096 available by request