F529-0106 Screening compound: 7-{4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

F529-0106 Screening compound: 7-{4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
F529-0106 Screening compound: 7-{4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F529-0106
7-{4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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

F529-0106

Molecular Formula

C25H25N5O3S (C25 H25 N5 O3 S)

Compound Name

7-{4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-{4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl}-2-(2-methylphenyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

Cc(cc1)ccc1OCC(N(CC1)CCN1C(N=C1SC(c2c(C)cccc2)=NN11)=CC1=O)=O

InChI

InChI=1S/C25H25N5O3S/c1-17-7-9-19(10-8-17)33-16-23(32)29-13-11-28(12-14-29)21-15-22(31)30-25(26-21)34-24(27-30)20-6-4-3-5-18(20)2/h3-10,15H,11-14,16H2,1-2H3

InChI Key

ZXZZTFRUYDFKRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.39

Polar Surface Area

64.796

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F529-0106 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F529-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F529-0106?
Check Price and Availability of F529-0106, 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 F529-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F529-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F529-0106
  • 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 F529-0106 available by request