7086-9699 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenoxy-4-(thiophen-2-yl)azetidin-2-one

7086-9699 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenoxy-4-(thiophen-2-yl)azetidin-2-one
7086-9699 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenoxy-4-(thiophen-2-yl)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7086-9699
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenoxy-4-(thiophen-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

7086-9699

Molecular Formula

C21H17NO4S (C21 H17 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1Oc2ccccc2)N(Cc(cc2)cc3c2OCO3)C1c1cccs1

InChI

InChI=1S/C21H17NO4S/c23-21-20(26-15-5-2-1-3-6-15)19(18-7-4-10-27-18)22(21)12-14-8-9-16-17(11-14)25-13-24-16/h1-11,19-20H,12-13H2

InChI Key

WQILJZCNZMJOEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.640

Distribution Coefficient, logD

3.640

Water Solubility, LogSw

-3.98

Polar Surface Area

40.535

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.00

7086-9699 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 7086-9699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7086-9699?
Check Price and Availability of 7086-9699, 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 7086-9699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7086-9699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7086-9699
  • 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 7086-9699 available by request