0132-0027 Screening compound: N-(4-methylphenyl)-N-[2,4,4,6,6-penta(4-toluidino)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-yl]amine

0132-0027 Screening compound: N-(4-methylphenyl)-N-[2,4,4,6,6-penta(4-toluidino)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-yl]amine
0132-0027 Screening compound: N-(4-methylphenyl)-N-[2,4,4,6,6-penta(4-toluidino)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0132-0027
N-(4-methylphenyl)-N-[2,4,4,6,6-penta(4-toluidino)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-yl]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

0132-0027

Molecular Formula

C42H48N9P3 (C42 H48 N9 P3)

Compound Name

N-(4-methylphenyl)-N-[2,4,4,6,6-penta(4-toluidino)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-yl]amine

IUPAC name

N'2N2N'4N4N'6N6-hexakis(4-methylphenyl)-1352lambda54lambda56lambda5-triazatriphosphinine-224466-hexamine

SMILES

Cc(cc1)ccc1Np1(Nc2ccc(C)cc2)np(Nc2ccc(C)cc2)(Nc2ccc(C)cc2)np(Nc2ccc(C)cc2)(Nc2ccc(C)cc2)n1

InChI

InChI=1S/C42H48N9P3/c1-31-7-19-37(20-8-31)43-52(44-38-21-9-32(2)10-22-38)49-53(45-39-23-11-33(3)12-24-39,46-40-25-13-34(4)14-26-40)51-54(50-52,47-41-27-15-35(5)16-28-41)48-42-29-17-36(6)18-30-42/h7-30,43-48H,1-6H3

InChI Key

HPUFWAUEUIVZBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

771.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

11.838

Distribution Coefficient, logD

11.838

Water Solubility, LogSw

-6.10

Polar Surface Area

86.672

Acid Dissociation Constant (pKa)

20.74

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0132-0027 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 0132-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0132-0027?
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What is the minimum amount of 0132-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0132-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0132-0027
  • 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 0132-0027 available by request