2187-2931 Screening compound: ethyl (2E)-2-{[2-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2187-2931 Screening compound: ethyl (2E)-2-{[2-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2187-2931 Screening compound: ethyl (2E)-2-{[2-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-2931
ethyl (2E)-2-{[2-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-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

2187-2931

Molecular Formula

C25H22N2O5S (C25 H22 N2 O5 S)

Compound Name

ethyl (2E)-2-{[2-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-2-{[2-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1ccccc1)N1C2=O)=C(C)N=C1S/C2=C/c(cccc1)c1OC(C)=O)=O

InChI

InChI=1S/C25H22N2O5S/c1-4-31-24(30)21-15(2)26-25-27(22(21)17-10-6-5-7-11-17)23(29)20(33-25)14-18-12-8-9-13-19(18)32-16(3)28/h5-14,22H,4H2,1-3H3/t22-/m1/s1

InChI Key

OQCZRDWKZXSHGS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01556609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-4.28

Polar Surface Area

66.585

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2187-2931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-2931?
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What is the minimum amount of 2187-2931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-2931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-2931
  • 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 2187-2931 available by request