F801-0076 Screening compound: 6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

F801-0076 Screening compound: 6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
F801-0076 Screening compound: 6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F801-0076
6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-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

F801-0076

Molecular Formula

C22H25FN6O2S (C22 H25 FN6 O2 S)

Compound Name

6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

O=C(CN(C=Nc1c2sc(N3CCCCC3)n1)C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C22H25FN6O2S/c23-16-4-6-17(7-5-16)26-10-12-27(13-11-26)18(30)14-29-15-24-20-19(21(29)31)32-22(25-20)28-8-2-1-3-9-28/h4-7,15H,1-3,8-14H2

InChI Key

MLQFBCSGNPJWSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-2.96

Polar Surface Area

59.840

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

F801-0076 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F801-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F801-0076?
Check Price and Availability of F801-0076, 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 F801-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F801-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F801-0076
  • 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 F801-0076 available by request