7747-0545 Screening compound: 3-(2-pyridylamino)-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one

7747-0545 Screening compound: 3-(2-pyridylamino)-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
7747-0545 Screening compound: 3-(2-pyridylamino)-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7747-0545
3-(2-pyridylamino)-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one

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

7747-0545

Molecular Formula

C13H13N2O3P (C13 H13 N2 O3 P)

Compound Name

3-(2-pyridylamino)-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one

IUPAC name

3-[(pyridin-2-yl)amino]-34-dihydro-2H-153lambda5-benzodioxaphosphepin-3-one

SMILES

O=P1(COc(cccc2)c2OC1)Nc1ncccc1

InChI

InChI=1S/C13H13N2O3P/c16-19(15-13-7-3-4-8-14-13)9-17-11-5-1-2-6-12(11)18-10-19/h1-8H,9-10H2,(H,14,15,16)

InChI Key

RWBGOYRRDHWURM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06598666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.853

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-1.86

Polar Surface Area

54.024

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

7747-0545 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7747-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7747-0545?
Check Price and Availability of 7747-0545, 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 7747-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7747-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7747-0545
  • 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 7747-0545 available by request