1154-0012 Screening compound: 2,2,4,4,6,6-hexakis(4-methylphenoxy)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine

1154-0012 Screening compound: 2,2,4,4,6,6-hexakis(4-methylphenoxy)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine
1154-0012 Screening compound: 2,2,4,4,6,6-hexakis(4-methylphenoxy)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1154-0012
2,2,4,4,6,6-hexakis(4-methylphenoxy)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine

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

1154-0012

Molecular Formula

C42H42N3O6P3 (C42 H42 N3 O6 P3)

Compound Name

2,2,4,4,6,6-hexakis(4-methylphenoxy)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine

IUPAC name

hexakis(4-methylphenoxy)-1352lambda54lambda56lambda5-triazatriphosphinine

SMILES

Cc(cc1)ccc1Op1(Oc2ccc(C)cc2)np(Oc2ccc(C)cc2)(Oc2ccc(C)cc2)np(Oc2ccc(C)cc2)(Oc2ccc(C)cc2)n1

InChI

InChI=1S/C42H42N3O6P3/c1-31-7-19-37(20-8-31)46-52(47-38-21-9-32(2)10-22-38)43-53(48-39-23-11-33(3)12-24-39,49-40-25-13-34(4)14-26-40)45-54(44-52,50-41-27-15-35(5)16-28-41)51-42-29-17-36(6)18-30-42/h7-30H,1-6H3

InChI Key

QELCMYKEJZINGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00183772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

777.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

10.821

Distribution Coefficient, logD

10.821

Water Solubility, LogSw

-6.04

Polar Surface Area

77.617

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1154-0012 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 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 1154-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1154-0012?
Check Price and Availability of 1154-0012, 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 1154-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1154-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1154-0012
  • 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 1154-0012 available by request