8019-5516 Screening compound: N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-fluorobenzamide

8019-5516 Screening compound: N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-fluorobenzamide
8019-5516 Screening compound: N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5516
N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-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

8019-5516

Molecular Formula

C22H15BrFNO4 (C22 H15 BrFNO4)

Compound Name

N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-fluorobenzamide

IUPAC name

N-[7-(4-bromobenzoyl)-23-dihydro-14-benzodioxin-6-yl]-4-fluorobenzamide

SMILES

O=C(c(cc1)ccc1Br)c(cc1OCCOc1c1)c1NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C22H15BrFNO4/c23-15-5-1-13(2-6-15)21(26)17-11-19-20(29-10-9-28-19)12-18(17)25-22(27)14-3-7-16(24)8-4-14/h1-8,11-12H,9-10H2,(H,25,27)

InChI Key

FHBSUALPJHQITE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09960343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-4.21

Polar Surface Area

51.922

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8019-5516 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8019-5516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5516?
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What is the minimum amount of 8019-5516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5516
  • 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 8019-5516 available by request