8017-2095 Screening compound: 2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(4-fluorophenyl)piperazino]-1-ethanone

8017-2095 Screening compound: 2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(4-fluorophenyl)piperazino]-1-ethanone
8017-2095 Screening compound: 2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(4-fluorophenyl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2095
2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(4-fluorophenyl)piperazino]-1-ethanone

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

8017-2095

Molecular Formula

C21H23FN2O (C21 H23 FN2 O)

Compound Name

2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(4-fluorophenyl)piperazino]-1-ethanone

IUPAC name

2-(23-dihydro-1H-inden-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

SMILES

O=C(CC(CC1)c2c1cccc2)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C21H23FN2O/c22-18-7-9-19(10-8-18)23-11-13-24(14-12-23)21(25)15-17-6-5-16-3-1-2-4-20(16)17/h1-4,7-10,17H,5-6,11-15H2/t17-/m1/s1

InChI Key

NAAOFBMGGFAEIT-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06014949

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

338.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-3.96

Polar Surface Area

19.906

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8017-2095 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-2095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2095?
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What is the minimum amount of 8017-2095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2095
  • 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 8017-2095 available by request