F524-0181 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea

F524-0181 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
F524-0181 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F524-0181
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea

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

F524-0181

Molecular Formula

C22H19N5O4S (C22 H19 N5 O4 S)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-{[2-(4-methylphenyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl}urea

SMILES

Cc(cc1)ccc1C(SC1=NC(CNC(Nc(cc2)cc3c2OCCO3)=O)=C2)=NN1C2=O

InChI

InChI=1S/C22H19N5O4S/c1-13-2-4-14(5-3-13)20-26-27-19(28)11-16(25-22(27)32-20)12-23-21(29)24-15-6-7-17-18(10-15)31-9-8-30-17/h2-7,10-11H,8-9,12H2,1H3,(H2,23,24,29)

InChI Key

RFKGTWRBBUXXAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14957933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.393

Water Solubility, LogSw

-3.03

Polar Surface Area

87.719

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F524-0181 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with F524-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F524-0181?
Check Price and Availability of F524-0181, 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 F524-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F524-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F524-0181
  • 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 F524-0181 available by request