F570-0339 Screening compound: 2-(3-fluorophenyl)-7-[(4-phenylmethanesulfonylpiperazin-1-yl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

F570-0339 Screening compound: 2-(3-fluorophenyl)-7-[(4-phenylmethanesulfonylpiperazin-1-yl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
F570-0339 Screening compound: 2-(3-fluorophenyl)-7-[(4-phenylmethanesulfonylpiperazin-1-yl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F570-0339
2-(3-fluorophenyl)-7-[(4-phenylmethanesulfonylpiperazin-1-yl)methyl]-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

F570-0339

Molecular Formula

C23H22FN5O3S2 (C23 H22 FN5 O3 S2)

Compound Name

2-(3-fluorophenyl)-7-[(4-phenylmethanesulfonylpiperazin-1-yl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-(3-fluorophenyl)-7-[(4-phenylmethanesulfonylpiperazin-1-yl)methyl]-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

O=C1N2N=C(c3cc(F)ccc3)SC2=NC(CN(CC2)CCN2S(Cc2ccccc2)(=O)=O)=C1

InChI

InChI=1S/C23H22FN5O3S2/c24-19-8-4-7-18(13-19)22-26-29-21(30)14-20(25-23(29)33-22)15-27-9-11-28(12-10-27)34(31,32)16-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2

InChI Key

WAGVWMJGZHABDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14959285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.278

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-2.76

Polar Surface Area

73.416

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F570-0339 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 F570-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F570-0339?
Check Price and Availability of F570-0339, 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 F570-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F570-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F570-0339
  • 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 F570-0339 available by request