8018-3946 Screening compound: 4-(4-fluorophenyl)-3-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1,3-thiazole-2-thione

8018-3946 Screening compound: 4-(4-fluorophenyl)-3-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1,3-thiazole-2-thione
8018-3946 Screening compound: 4-(4-fluorophenyl)-3-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1,3-thiazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3946
4-(4-fluorophenyl)-3-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1,3-thiazole-2-thione

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

8018-3946

Molecular Formula

C21H21FN2S2 (C21 H21 FN2 S2)

Compound Name

4-(4-fluorophenyl)-3-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1,3-thiazole-2-thione

IUPAC name

4-(4-fluorophenyl)-3-[(4-phenylpiperidin-1-yl)methyl]-23-dihydro-13-thiazole-2-thione

SMILES

Fc(cc1)ccc1C(N1CN(CC2)CCC2c2ccccc2)=CSC1=S

InChI

InChI=1S/C21H21FN2S2/c22-19-8-6-18(7-9-19)20-14-26-21(25)24(20)15-23-12-10-17(11-13-23)16-4-2-1-3-5-16/h1-9,14,17H,10-13,15H2

InChI Key

ZJLOHKOFOBZEDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.940

Distribution Coefficient, logD

5.350

Water Solubility, LogSw

-6.24

Polar Surface Area

8.036

Acid Dissociation Constant (pKa)

25.10

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8018-3946 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-3946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3946?
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What is the minimum amount of 8018-3946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3946
  • 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 8018-3946 available by request