8017-0962 Screening compound: 2-fluoro-N~1~-[7-(1-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

8017-0962 Screening compound: 2-fluoro-N~1~-[7-(1-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
8017-0962 Screening compound: 2-fluoro-N~1~-[7-(1-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0962
2-fluoro-N~1~-[7-(1-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

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

8017-0962

Molecular Formula

C18H18FNO4 (C18 H18 FNO4)

Compound Name

2-fluoro-N~1~-[7-(1-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

IUPAC name

2-fluoro-N-[7-(1-hydroxypropyl)-23-dihydro-14-benzodioxin-6-yl]benzamide

SMILES

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

InChI

InChI=1S/C18H18FNO4/c1-2-15(21)12-9-16-17(24-8-7-23-16)10-14(12)20-18(22)11-5-3-4-6-13(11)19/h3-6,9-10,15,21H,2,7-8H2,1H3,(H,20,22)/t15-/m0/s1

InChI Key

PYNZILNIBGIVIL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06014026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.771

Distribution Coefficient, logD

1.764

Water Solubility, LogSw

-2.68

Polar Surface Area

54.607

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

8017-0962 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0962?
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What is the minimum amount of 8017-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0962
  • 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 8017-0962 available by request