8017-1569 Screening compound: N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzamide

8017-1569 Screening compound: N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzamide
8017-1569 Screening compound: N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1569
N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzamide

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

8017-1569

Molecular Formula

C19H18FNO4 (C19 H18 FNO4)

Compound Name

N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzamide

IUPAC name

N-(7-butanoyl-23-dihydro-14-benzodioxin-6-yl)-2-fluorobenzamide

SMILES

CCCC(c(cc1OCCOc1c1)c1NC(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C19H18FNO4/c1-2-5-16(22)13-10-17-18(25-9-8-24-17)11-15(13)21-19(23)12-6-3-4-7-14(12)20/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H,21,23)

InChI Key

IMXDHGLGEWKXEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

1.189

Water Solubility, LogSw

-3.45

Polar Surface Area

51.702

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

8017-1569 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 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:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-1569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1569?
Check Price and Availability of 8017-1569, 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 8017-1569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1569
  • 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 8017-1569 available by request