8019-6842 Screening compound: 6-fluoro-4-oxo-N~2~-(4-pyridyl)-2-chromanecarboxamide

8019-6842 Screening compound: 6-fluoro-4-oxo-N~2~-(4-pyridyl)-2-chromanecarboxamide
8019-6842 Screening compound: 6-fluoro-4-oxo-N~2~-(4-pyridyl)-2-chromanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6842
6-fluoro-4-oxo-N~2~-(4-pyridyl)-2-chromanecarboxamide

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

8019-6842

Molecular Formula

C15H11FN2O3 (C15 H11 FN2 O3)

Compound Name

6-fluoro-4-oxo-N~2~-(4-pyridyl)-2-chromanecarboxamide

IUPAC name

6-fluoro-4-oxo-N-(pyridin-4-yl)-34-dihydro-2H-1-benzopyran-2-carboxamide

SMILES

O=C(C(C1)Oc(ccc(F)c2)c2C1=O)Nc1ccncc1

InChI

InChI=1S/C15H11FN2O3/c16-9-1-2-13-11(7-9)12(19)8-14(21-13)15(20)18-10-3-5-17-6-4-10/h1-7,14H,8H2,(H,17,18,20)/t14-/m1/s1

InChI Key

LFTCCIITEWXSNB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD10038981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

1.601

Water Solubility, LogSw

-2.16

Polar Surface Area

52.993

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.33

8019-6842 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8019-6842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6842?
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What is the minimum amount of 8019-6842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6842
  • 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 8019-6842 available by request