F527-0114 Screening compound: N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-phenoxyacetamide

F527-0114 Screening compound: N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-phenoxyacetamide
F527-0114 Screening compound: N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F527-0114
N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-phenoxyacetamide

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

F527-0114

Molecular Formula

C21H18N4O3S (C21 H18 N4 O3 S)

Compound Name

N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-phenoxyacetamide

IUPAC name

N-{[2-(2-methylphenyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl}-2-phenoxyacetamide

SMILES

Cc(cccc1)c1C(SC1=NC(CNC(COc2ccccc2)=O)=C2)=NN1C2=O

InChI

InChI=1S/C21H18N4O3S/c1-14-7-5-6-10-17(14)20-24-25-19(27)11-15(23-21(25)29-20)12-22-18(26)13-28-16-8-3-2-4-9-16/h2-11H,12-13H2,1H3,(H,22,26)

InChI Key

ASTJJIXVXIAJRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27172369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

2.896

Water Solubility, LogSw

-3.48

Polar Surface Area

69.970

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F527-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F527-0114?
Check Price and Availability of F527-0114, 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 F527-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F527-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F527-0114
  • 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 F527-0114 available by request