3647-1659 Screening compound: ethyl (2Z)-5-(4-fluorophenyl)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3647-1659 Screening compound: ethyl (2Z)-5-(4-fluorophenyl)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3647-1659 Screening compound: ethyl (2Z)-5-(4-fluorophenyl)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-1659
ethyl (2Z)-5-(4-fluorophenyl)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-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

3647-1659

Molecular Formula

C24H21FN2O3S (C24 H21 FN2 O3 S)

Compound Name

ethyl (2Z)-5-(4-fluorophenyl)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(4-fluorophenyl)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1F)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(C)cc1)=O

InChI

InChI=1S/C24H21FN2O3S/c1-4-30-23(29)20-15(3)26-24-27(21(20)17-9-11-18(25)12-10-17)22(28)19(31-24)13-16-7-5-14(2)6-8-16/h5-13,21H,4H2,1-3H3/t21-/m1/s1

InChI Key

VDJWGGACPIPCHB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01647712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.935

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.59

Polar Surface Area

45.747

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 3647-1659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-1659?
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What is the minimum amount of 3647-1659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-1659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-1659
  • 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 3647-1659 available by request