F441-0049 Screening compound: N~3~-(4-fluorobenzyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide

F441-0049 Screening compound: N~3~-(4-fluorobenzyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
F441-0049 Screening compound: N~3~-(4-fluorobenzyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F441-0049
N~3~-(4-fluorobenzyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide

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

F441-0049

Molecular Formula

C18H14FN3O3S2 (C18 H14 FN3 O3 S2)

Compound Name

N~3~-(4-fluorobenzyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide

IUPAC name

N-[(4-fluorophenyl)methyl]-11-methyl-13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-246911-pentaene-12-sulfonamide

SMILES

CC(N=C1Sc(cccc2)c2N1C1=O)=C1S(NCc(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C18H14FN3O3S2/c1-11-16(27(24,25)20-10-12-6-8-13(19)9-7-12)17(23)22-14-4-2-3-5-15(14)26-18(22)21-11/h2-9,20H,10H2,1H3

InChI Key

KKEAVBAUYVEOPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.291

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-2.68

Polar Surface Area

66.442

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F441-0049 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F441-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F441-0049?
Check Price and Availability of F441-0049, 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 F441-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F441-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F441-0049
  • 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 F441-0049 available by request