1611-4795 Screening compound: ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

1611-4795 Screening compound: ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
1611-4795 Screening compound: ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-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 1611-4795
ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-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

1611-4795

Molecular Formula

C26H24N2O6S (C26 H24 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1OC(C)=O)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)ccc1OC)=O

InChI

InChI=1S/C26H24N2O6S/c1-5-33-25(31)22-15(2)27-26-28(23(22)18-8-12-20(13-9-18)34-16(3)29)24(30)21(35-26)14-17-6-10-19(32-4)11-7-17/h6-14,23H,5H2,1-4H3/t23-/m1/s1

InChI Key

WQUORUNQFSBJOE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01246420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.55

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

3.944

Distribution Coefficient, logD

3.944

Water Solubility, LogSw

-4.04

Polar Surface Area

74.042

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 1611-4795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-4795?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4795
  • 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 1611-4795 available by request