7747-0553 Screening compound: 3-(5-isopropyl-2-methylphenoxy)-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one

7747-0553 Screening compound: 3-(5-isopropyl-2-methylphenoxy)-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
7747-0553 Screening compound: 3-(5-isopropyl-2-methylphenoxy)-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7747-0553
3-(5-isopropyl-2-methylphenoxy)-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

7747-0553

Molecular Formula

C18H21O4P (C18 H21 O4 P)

Compound Name

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

IUPAC name

3-[2-methyl-5-(propan-2-yl)phenoxy]-34-dihydro-2H-153lambda5-benzodioxaphosphepin-3-one

SMILES

CC(C)c1cc(OP2(COc(cccc3)c3OC2)=O)c(C)cc1

InChI

InChI=1S/C18H21O4P/c1-13(2)15-9-8-14(3)18(10-15)22-23(19)11-20-16-6-4-5-7-17(16)21-12-23/h4-10,13H,11-12H2,1-3H3

InChI Key

SOSHZNWKBCANTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06601102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.64

Polar Surface Area

42.473

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

7747-0553 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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 7747-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7747-0553?
Check Price and Availability of 7747-0553, 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 7747-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7747-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7747-0553
  • 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 7747-0553 available by request