1658-0111 Screening compound: 6-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxine

1658-0111 Screening compound: 6-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxine
1658-0111 Screening compound: 6-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1658-0111
6-(2-bromobenzoyl)-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

1658-0111

Molecular Formula

C15H11BrO3 (C15 H11 BrO3)

Compound Name

6-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxine

IUPAC name

6-(2-bromobenzoyl)-23-dihydro-14-benzodioxine

SMILES

O=C(c(cc1)cc2c1OCCO2)c(cccc1)c1Br

InChI

InChI=1S/C15H11BrO3/c16-12-4-2-1-3-11(12)15(17)10-5-6-13-14(9-10)19-8-7-18-13/h1-6,9H,7-8H2

InChI Key

SKAMRSDNCRRMBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00430092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.15

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

2.772

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-3.34

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

1658-0111 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1658-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1658-0111?
Check Price and Availability of 1658-0111, 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 1658-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1658-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1658-0111
  • 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 1658-0111 available by request