8019-6454 Screening compound: 7-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-amine

8019-6454 Screening compound: 7-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-amine
8019-6454 Screening compound: 7-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6454
7-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-amine

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

8019-6454

Molecular Formula

C15H12FNO3 (C15 H12 FNO3)

Compound Name

7-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-amine

IUPAC name

7-(4-fluorobenzoyl)-23-dihydro-14-benzodioxin-6-amine

SMILES

Nc(cc1OCCOc1c1)c1C(c(cc1)ccc1F)=O

InChI

InChI=1S/C15H12FNO3/c16-10-3-1-9(2-4-10)15(18)11-7-13-14(8-12(11)17)20-6-5-19-13/h1-4,7-8H,5-6,17H2

InChI Key

CFJRANNJRYJSBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09028307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.26

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

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.80

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

13.30

8019-6454 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8019-6454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6454?
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What is the minimum amount of 8019-6454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6454
  • 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 8019-6454 available by request