8018-4528 Screening compound: 1-[bis(4-fluorophenyl)methyl]-4-(thiophene-2-carbonyl)piperazine

8018-4528 Screening compound: 1-[bis(4-fluorophenyl)methyl]-4-(thiophene-2-carbonyl)piperazine
8018-4528 Screening compound: 1-[bis(4-fluorophenyl)methyl]-4-(thiophene-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4528
1-[bis(4-fluorophenyl)methyl]-4-(thiophene-2-carbonyl)piperazine

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

8018-4528

Molecular Formula

C22H20F2N2OS (C22 H20 F2 N2 OS)

Compound Name

1-[bis(4-fluorophenyl)methyl]-4-(thiophene-2-carbonyl)piperazine

IUPAC name

1-[bis(4-fluorophenyl)methyl]-4-(thiophene-2-carbonyl)piperazine

SMILES

O=C(c1cccs1)N(CC1)CCN1C(c(cc1)ccc1F)c(cc1)ccc1F

InChI

InChI=1S/C22H20F2N2OS/c23-18-7-3-16(4-8-18)21(17-5-9-19(24)10-6-17)25-11-13-26(14-12-25)22(27)20-2-1-15-28-20/h1-10,15,21H,11-14H2

InChI Key

BOYLFUZMPFVYNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07141301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.39

Polar Surface Area

20.466

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

8018-4528 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-4528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4528?
Check Price and Availability of 8018-4528, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-4528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4528
  • 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 8018-4528 available by request