8009-2356 Screening compound: ethyl (2Z)-2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8009-2356 Screening compound: ethyl (2Z)-2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8009-2356 Screening compound: ethyl (2Z)-2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2356
ethyl (2Z)-2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

8009-2356

Molecular Formula

C23H21IN2O5S2 (C23 H21 IN2 O5 S2)

Compound Name

ethyl (2Z)-2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1cccs1)N1C2=O)=C(C)N=C1S/C2=C\c(cc1OCC)cc(I)c1O)=O

InChI

InChI=1S/C23H21IN2O5S2/c1-4-30-15-10-13(9-14(24)20(15)27)11-17-21(28)26-19(16-7-6-8-32-16)18(22(29)31-5-2)12(3)25-23(26)33-17/h6-11,19,27H,4-5H2,1-3H3/t19-/m0/s1

InChI Key

NWCATMGOOWODBY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02378717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.244

Distribution Coefficient, logD

5.201

Water Solubility, LogSw

-4.85

Polar Surface Area

69.455

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

8009-2356 in Drug Discovery

Included in Screening Libraries

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 8009-2356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2356?
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What is the minimum amount of 8009-2356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2356
  • 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 8009-2356 available by request