4690-0027 Screening compound: ethyl 5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4690-0027 Screening compound: ethyl 5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4690-0027 Screening compound: ethyl 5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4690-0027
ethyl 5-(3-ethoxy-4-methoxyphenyl)-7-methyl-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

4690-0027

Molecular Formula

C19H22N2O5S (C19 H22 N2 O5 S)

Compound Name

ethyl 5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OCC)c1OC)N12)=C(C)N=C1SCC2=O)=O

InChI

InChI=1S/C19H22N2O5S/c1-5-25-14-9-12(7-8-13(14)24-4)17-16(18(23)26-6-2)11(3)20-19-21(17)15(22)10-27-19/h7-9,17H,5-6,10H2,1-4H3/t17-/m1/s1

InChI Key

KOTYUMBALJCWIE-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02624556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.150

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-2.61

Polar Surface Area

61.137

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with 4690-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4690-0027?
Check Price and Availability of 4690-0027, 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 4690-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4690-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4690-0027
  • 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 4690-0027 available by request