8017-0783 Screening compound: (7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)(3-bromophenyl)methanone

8017-0783 Screening compound: (7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)(3-bromophenyl)methanone
8017-0783 Screening compound: (7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)(3-bromophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0783
(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)(3-bromophenyl)methanone

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

8017-0783

Molecular Formula

C15H12BrNO3 (C15 H12 BrNO3)

Compound Name

(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)(3-bromophenyl)methanone

IUPAC name

7-(3-bromobenzoyl)-23-dihydro-14-benzodioxin-6-amine

SMILES

Nc(cc1OCCOc1c1)c1C(c1cccc(Br)c1)=O

InChI

InChI=1S/C15H12BrNO3/c16-10-3-1-2-9(6-10)15(18)11-7-13-14(8-12(11)17)20-5-4-19-13/h1-3,6-8H,4-5,17H2

InChI Key

HBMGOHRZTKLBMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.17

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.28

Polar Surface Area

49.625

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8017-0783 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 8017-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0783?
Check Price and Availability of 8017-0783, 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 8017-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0783
  • 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 8017-0783 available by request