F441-0063 Screening compound: 3-{[4-(2-fluorophenyl)piperazino]sulfonyl}-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

F441-0063 Screening compound: 3-{[4-(2-fluorophenyl)piperazino]sulfonyl}-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
F441-0063 Screening compound: 3-{[4-(2-fluorophenyl)piperazino]sulfonyl}-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F441-0063
3-{[4-(2-fluorophenyl)piperazino]sulfonyl}-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-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

F441-0063

Molecular Formula

C21H19FN4O3S2 (C21 H19 FN4 O3 S2)

Compound Name

3-{[4-(2-fluorophenyl)piperazino]sulfonyl}-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

IUPAC name

12-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-11-methyl-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-246911-pentaen-13-one

SMILES

CC(N=C1Sc(cccc2)c2N1C1=O)=C1S(N(CC1)CCN1c(cccc1)c1F)(=O)=O

InChI

InChI=1S/C21H19FN4O3S2/c1-14-19(20(27)26-17-8-4-5-9-18(17)30-21(26)23-14)31(28,29)25-12-10-24(11-13-25)16-7-3-2-6-15(16)22/h2-9H,10-13H2,1H3

InChI Key

LMQURHSYEOFNCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.610

Distribution Coefficient, logD

2.610

Water Solubility, LogSw

-2.92

Polar Surface Area

59.354

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F441-0063 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F441-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F441-0063?
Check Price and Availability of F441-0063, 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 F441-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F441-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F441-0063
  • 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 F441-0063 available by request