2388-1061 Screening compound: methyl (2E)-2-{[3-(acetyloxy)-4-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1061 Screening compound: methyl (2E)-2-{[3-(acetyloxy)-4-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1061 Screening compound: methyl (2E)-2-{[3-(acetyloxy)-4-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2388-1061
methyl (2E)-2-{[3-(acetyloxy)-4-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-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

2388-1061

Molecular Formula

C24H22N2O6S2 (C24 H22 N2 O6 S2)

Compound Name

methyl (2E)-2-{[3-(acetyloxy)-4-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl (2E)-2-{[3-(acetyloxy)-4-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOc(ccc(/C=C(\C(N1C2c3cccs3)=O)/SC1=NC(C)=C2C(OC)=O)c1)c1OC(C)=O

InChI

InChI=1S/C24H22N2O6S2/c1-5-31-16-9-8-15(11-17(16)32-14(3)27)12-19-22(28)26-21(18-7-6-10-33-18)20(23(29)30-4)13(2)25-24(26)34-19/h6-12,21H,5H2,1-4H3/t21-/m1/s1

InChI Key

YOKMNJWIPDSFSX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01072505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-4.00

Polar Surface Area

75.234

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2388-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1061?
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What is the minimum amount of 2388-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-1061
  • 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 2388-1061 available by request