7747-0556 Screening compound: N~1~-{2-[(3-oxo-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-yl)oxy]phenyl}acetamide

7747-0556 Screening compound: N~1~-{2-[(3-oxo-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-yl)oxy]phenyl}acetamide
7747-0556 Screening compound: N~1~-{2-[(3-oxo-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-yl)oxy]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7747-0556
N~1~-{2-[(3-oxo-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-yl)oxy]phenyl}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

7747-0556

Molecular Formula

C16H16NO5P (C16 H16 NO5 P)

Compound Name

N~1~-{2-[(3-oxo-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-yl)oxy]phenyl}acetamide

IUPAC name

N-{2-[(3-oxo-34-dihydro-2H-153lambda5-benzodioxaphosphepin-3-yl)oxy]phenyl}acetamide

SMILES

CC(Nc(cccc1)c1OP1(COc(cccc2)c2OC1)=O)=O

InChI

InChI=1S/C16H16NO5P/c1-12(18)17-13-6-2-3-7-14(13)22-23(19)10-20-15-8-4-5-9-16(15)21-11-23/h2-9H,10-11H2,1H3,(H,17,18)

InChI Key

FOGSRRZQBSHIPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06605181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.632

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-1.93

Polar Surface Area

65.037

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

7747-0556 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 7747-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7747-0556?
Check Price and Availability of 7747-0556, 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 7747-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7747-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7747-0556
  • 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 7747-0556 available by request