8008-1121 Screening compound: ethyl 5-(4-chlorophenyl)-2-[(E)-1-(3,5-diiodo-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8008-1121 Screening compound: ethyl 5-(4-chlorophenyl)-2-[(E)-1-(3,5-diiodo-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8008-1121 Screening compound: ethyl 5-(4-chlorophenyl)-2-[(E)-1-(3,5-diiodo-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1121
ethyl 5-(4-chlorophenyl)-2-[(E)-1-(3,5-diiodo-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-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

8008-1121

Molecular Formula

C24H19ClI2N2O4S (C24 H19 ClI2 N2 O4 S)

Compound Name

ethyl 5-(4-chlorophenyl)-2-[(E)-1-(3,5-diiodo-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-5-(4-chlorophenyl)-2-[(35-diiodo-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1Cl)N1C2=O)=C(C)N=C1S/C2=C/c(cc1I)cc(I)c1OC)=O

InChI

InChI=1S/C24H19ClI2N2O4S/c1-4-33-23(31)19-12(2)28-24-29(20(19)14-5-7-15(25)8-6-14)22(30)18(34-24)11-13-9-16(26)21(32-3)17(27)10-13/h5-11,20H,4H2,1-3H3/t20-/m0/s1

InChI Key

SQTWGJZVIFOOTL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01155563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

720.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.767

Distribution Coefficient, logD

6.767

Water Solubility, LogSw

-6.48

Polar Surface Area

53.464

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

References: we are preparing a list of scientific research reports with 8008-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1121?
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What is the minimum amount of 8008-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1121
  • 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 8008-1121 available by request