1512-0080 Screening compound: N-benzyl-N-[2,4,4,6,6-pentakis(benzylamino)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-yl]amine

1512-0080 Screening compound: N-benzyl-N-[2,4,4,6,6-pentakis(benzylamino)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-yl]amine
1512-0080 Screening compound: N-benzyl-N-[2,4,4,6,6-pentakis(benzylamino)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1512-0080
N-benzyl-N-[2,4,4,6,6-pentakis(benzylamino)-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

1512-0080

Molecular Formula

C42H48N9P3 (C42 H48 N9 P3)

Compound Name

N-benzyl-N-[2,4,4,6,6-pentakis(benzylamino)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinin-2-yl]amine

IUPAC name

N'2N2N'4N4N'6N6-hexabenzyl-1352lambda54lambda56lambda5-triazatriphosphinine-224466-hexamine

SMILES

C(c1ccccc1)Np1(NCc2ccccc2)np(NCc2ccccc2)(NCc2ccccc2)np(NCc2ccccc2)(NCc2ccccc2)n1

InChI

InChI=1S/C42H48N9P3/c1-7-19-37(20-8-1)31-43-52(44-32-38-21-9-2-10-22-38)49-53(45-33-39-23-11-3-12-24-39,46-34-40-25-13-4-14-26-40)51-54(50-52,47-35-41-27-15-5-16-28-41)48-36-42-29-17-6-18-30-42/h1-30,43-48H,31-36H2

InChI Key

PQIPDHTUQXNJAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

771.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.936

Distribution Coefficient, logD

6.928

Water Solubility, LogSw

-6.37

Polar Surface Area

88.636

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 1512-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1512-0080?
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What is the minimum amount of 1512-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1512-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1512-0080
  • 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 1512-0080 available by request