7086-9697 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenoxy)-4-(3-methylthiophen-2-yl)azetidin-2-one

7086-9697 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenoxy)-4-(3-methylthiophen-2-yl)azetidin-2-one
7086-9697 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenoxy)-4-(3-methylthiophen-2-yl)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7086-9697
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenoxy)-4-(3-methylthiophen-2-yl)azetidin-2-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

7086-9697

Molecular Formula

C23H21NO5S (C23 H21 NO5 S)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenoxy)-4-(3-methylthiophen-2-yl)azetidin-2-one

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-3-(4-methoxyphenoxy)-4-(3-methylthiophen-2-yl)azetidin-2-one

SMILES

Cc1c(C(C2Oc(cc3)ccc3OC)N(Cc(cc3)cc4c3OCO4)C2=O)scc1

InChI

InChI=1S/C23H21NO5S/c1-14-9-10-30-22(14)20-21(29-17-6-4-16(26-2)5-7-17)23(25)24(20)12-15-3-8-18-19(11-15)28-13-27-18/h3-11,20-21H,12-13H2,1-2H3

InChI Key

DHTXQGKBEIAKGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.43

Polar Surface Area

48.079

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.10

7086-9697 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 7086-9697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7086-9697?
Check Price and Availability of 7086-9697, 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 7086-9697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7086-9697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7086-9697
  • 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 7086-9697 available by request