L958-0466 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

L958-0466 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one
L958-0466 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L958-0466
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-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

L958-0466

Molecular Formula

C25H23FN4OS (C25 H23 FN4 OS)

Compound Name

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

IUPAC name

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-phenyl-13-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

SMILES

O=C(Cn1c(-c2nc(-c3ccccc3)cs2)ccc1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C25H23FN4OS/c26-20-8-10-21(11-9-20)28-13-15-29(16-14-28)24(31)17-30-12-4-7-23(30)25-27-22(18-32-25)19-5-2-1-3-6-19/h1-12,18H,13-17H2

InChI Key

KXYZLXZWTOCLER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27489904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.269

Water Solubility, LogSw

-5.46

Polar Surface Area

30.943

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L958-0466 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 L958-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L958-0466?
Check Price and Availability of L958-0466, 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 L958-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L958-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L958-0466
  • 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 L958-0466 available by request