F527-0568 Screening compound: N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(4-methylphenoxy)propanamide

F527-0568 Screening compound: N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(4-methylphenoxy)propanamide
F527-0568 Screening compound: N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(4-methylphenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F527-0568
N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(4-methylphenoxy)propanamide

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

F527-0568

Molecular Formula

C23H22N4O4S (C23 H22 N4 O4 S)

Compound Name

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

IUPAC name

N-{[2-(4-methoxyphenyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl}-2-(4-methylphenoxy)propanamide

SMILES

CC(C(NCC(N=C1SC(c(cc2)ccc2OC)=NN11)=CC1=O)=O)Oc1ccc(C)cc1

InChI

InChI=1S/C23H22N4O4S/c1-14-4-8-19(9-5-14)31-15(2)21(29)24-13-17-12-20(28)27-23(25-17)32-22(26-27)16-6-10-18(30-3)11-7-16/h4-12,15H,13H2,1-3H3,(H,24,29)/t15-/m0/s1

InChI Key

FFMIHRCXYSHUTH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27172506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.276

Water Solubility, LogSw

-3.51

Polar Surface Area

77.017

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

F527-0568 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F527-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F527-0568?
Check Price and Availability of F527-0568, 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 F527-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F527-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F527-0568
  • 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 F527-0568 available by request