8016-8261 Screening compound: 3-butyl-2-(2-fluorophenyl)-2,5,6,7-tetrahydro-4H-indazol-4-one

8016-8261 Screening compound: 3-butyl-2-(2-fluorophenyl)-2,5,6,7-tetrahydro-4H-indazol-4-one
8016-8261 Screening compound: 3-butyl-2-(2-fluorophenyl)-2,5,6,7-tetrahydro-4H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8261
3-butyl-2-(2-fluorophenyl)-2,5,6,7-tetrahydro-4H-indazol-4-one

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

8016-8261

Molecular Formula

C17H19FN2O (C17 H19 FN2 O)

Compound Name

3-butyl-2-(2-fluorophenyl)-2,5,6,7-tetrahydro-4H-indazol-4-one

IUPAC name

3-butyl-2-(2-fluorophenyl)-4567-tetrahydro-2H-indazol-4-one

SMILES

CCCCc(n(-c(cccc1)c1F)nc1CCC2)c1C2=O

InChI

InChI=1S/C17H19FN2O/c1-2-3-9-15-17-13(8-6-11-16(17)21)19-20(15)14-10-5-4-7-12(14)18/h4-5,7,10H,2-3,6,8-9,11H2,1H3

InChI Key

PDOLBTLKGQBVNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.32

Polar Surface Area

27.958

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

8016-8261 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-8261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8261?
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What is the minimum amount of 8016-8261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8261
  • 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 8016-8261 available by request