4470-1334 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diphenylphosphoroso)phenoxy]-N-[(4-methylphenyl)methyl]acetamide

4470-1334 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diphenylphosphoroso)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
4470-1334 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diphenylphosphoroso)phenoxy]-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4470-1334
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diphenylphosphoroso)phenoxy]-N-[(4-methylphenyl)methyl]acetamide

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

4470-1334

Molecular Formula

C36H32NO5P (C36 H32 NO5 P)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diphenylphosphoroso)phenoxy]-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[2-(diphenylphosphoroso)phenoxy]-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CN(Cc(cc2)cc3c2OCO3)C(COc(cccc2)c2P(c2ccccc2)(c2ccccc2)=O)=O)cc1

InChI

InChI=1S/C36H32NO5P/c1-27-16-18-28(19-17-27)23-37(24-29-20-21-32-34(22-29)42-26-41-32)36(38)25-40-33-14-8-9-15-35(33)43(39,30-10-4-2-5-11-30)31-12-6-3-7-13-31/h2-22H,23-26H2,1H3

InChI Key

YAQKAGFCGGRWTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.996

Distribution Coefficient, logD

5.996

Water Solubility, LogSw

-5.48

Polar Surface Area

51.368

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.90

References: we are preparing a list of scientific research reports with 4470-1334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4470-1334?
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What is the minimum amount of 4470-1334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4470-1334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4470-1334
  • 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 4470-1334 available by request