C679-1936 Screening compound: ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(4-oxo-4H-chromen-3-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C679-1936 Screening compound: ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(4-oxo-4H-chromen-3-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
C679-1936 Screening compound: ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(4-oxo-4H-chromen-3-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-1936
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(4-oxo-4H-chromen-3-yl)methylidene]-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

C679-1936

Molecular Formula

C27H22N2O6S (C27 H22 N2 O6 S)

Compound Name

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

IUPAC name

ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(4-oxo-4H-chromen-3-yl)methylidene]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC)N1C2=O)=C(C)N=C1S/C2=C\C1=COc(cccc2)c2C1=O)=O

InChI

InChI=1S/C27H22N2O6S/c1-4-34-26(32)22-15(2)28-27-29(23(22)16-9-11-18(33-3)12-10-16)25(31)21(36-27)13-17-14-35-20-8-6-5-7-19(20)24(17)30/h5-14,23H,4H2,1-3H3/t23-/m1/s1

InChI Key

WTLOEEUORIADFV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14781274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.44

Polar Surface Area

74.184

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with C679-1936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-1936?
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What is the minimum amount of C679-1936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-1936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-1936
  • 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 C679-1936 available by request