0831-0782 Screening compound: benzyl[tert-butyl(phenyl)phosphoryl]amine

0831-0782 Screening compound: benzyl[tert-butyl(phenyl)phosphoryl]amine
0831-0782 Screening compound: benzyl[tert-butyl(phenyl)phosphoryl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0782
benzyl[tert-butyl(phenyl)phosphoryl]amine

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

0831-0782

Molecular Formula

C17H22NOP (C17 H22 NOP)

Compound Name

benzyl[tert-butyl(phenyl)phosphoryl]amine

IUPAC name

benzyl[tert-butyl(phenyl)phosphoryl]amine

SMILES

CC(C)(C)P(c1ccccc1)(NCc1ccccc1)=O

InChI

InChI=1S/C17H22NOP/c1-17(2,3)20(19,16-12-8-5-9-13-16)18-14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,18,19)/t20-/m1/s1

InChI Key

SHGKGDFOIKLBFD-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00498045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-3.94

Polar Surface Area

22.629

Acid Dissociation Constant (pKa)

19.43

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

0831-0782 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0831-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0782?
Check Price and Availability of 0831-0782, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0831-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0782
  • 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 0831-0782 available by request