1658-0113 Screening compound: 6-benzoyl-2,3-dihydro-1,4-benzodioxine

1658-0113 Screening compound: 6-benzoyl-2,3-dihydro-1,4-benzodioxine
1658-0113 Screening compound: 6-benzoyl-2,3-dihydro-1,4-benzodioxine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1658-0113
6-benzoyl-2,3-dihydro-1,4-benzodioxine

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

1658-0113

Molecular Formula

C15H12O3 (C15 H12 O3)

Compound Name

6-benzoyl-2,3-dihydro-1,4-benzodioxine

IUPAC name

6-benzoyl-23-dihydro-14-benzodioxine

SMILES

O=C(c1ccccc1)c(cc1)cc2c1OCCO2

InChI

InChI=1S/C15H12O3/c16-15(11-4-2-1-3-5-11)12-6-7-13-14(10-12)18-9-8-17-13/h1-7,10H,8-9H2

InChI Key

MPTQHSCJAADSCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00168666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.422

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-2.77

Polar Surface Area

29.529

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

1658-0113 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1658-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1658-0113?
Check Price and Availability of 1658-0113, 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 1658-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1658-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1658-0113
  • 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 1658-0113 available by request