E559-0748 Screening compound: 6-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

E559-0748 Screening compound: 6-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
E559-0748 Screening compound: 6-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E559-0748
6-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2,7-dimethyl-5H-[1,3]thiazolo[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

E559-0748

Molecular Formula

C18H19FN4O3S2 (C18 H19 FN4 O3 S2)

Compound Name

6-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

6-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-27-dimethyl-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

CC(SC1=NC(C)=C2S(N(CC3)CCN3c(cc3)ccc3F)(=O)=O)=CN1C2=O

InChI

InChI=1S/C18H19FN4O3S2/c1-12-11-23-17(24)16(13(2)20-18(23)27-12)28(25,26)22-9-7-21(8-10-22)15-5-3-14(19)4-6-15/h3-6,11H,7-10H2,1-2H3

InChI Key

XULYZGZOCTXSMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.753

Distribution Coefficient, logD

1.753

Water Solubility, LogSw

-2.36

Polar Surface Area

60.595

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E559-0748 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E559-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E559-0748?
Check Price and Availability of E559-0748, 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 E559-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E559-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E559-0748
  • 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 E559-0748 available by request