3561-0308 Screening compound: 2-(4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

3561-0308 Screening compound: 2-(4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid
3561-0308 Screening compound: 2-(4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3561-0308
2-(4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

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

3561-0308

Molecular Formula

C25H21FN2O6S (C25 H21 FN2 O6 S)

Compound Name

2-(4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

SMILES

CCOC(C(C(c(cc1)ccc1F)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)ccc1OCC(O)=O)=O

InChI

InChI=1S/C25H21FN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)/t22-/m1/s1

InChI Key

CSPRGWWRNRXUMD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02951515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

-0.436

Water Solubility, LogSw

-3.89

Polar Surface Area

81.630

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3561-0308 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3561-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3561-0308?
Check Price and Availability of 3561-0308, 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 3561-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3561-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3561-0308
  • 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 3561-0308 available by request