4096-2748 Screening compound: ethyl (2Z)-5-(4-ethoxyphenyl)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4096-2748 Screening compound: ethyl (2Z)-5-(4-ethoxyphenyl)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4096-2748 Screening compound: ethyl (2Z)-5-(4-ethoxyphenyl)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4096-2748
ethyl (2Z)-5-(4-ethoxyphenyl)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-7-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

4096-2748

Molecular Formula

C28H23N3O7S (C28 H23 N3 O7 S)

Compound Name

ethyl (2Z)-5-(4-ethoxyphenyl)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(4-ethoxyphenyl)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-7-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OCC)N1C2=O)=C(c3ccccc3)N=C1S/C2=C\c1ccc([N+]([O-])=O)o1)=O

InChI

InChI=1S/C28H23N3O7S/c1-3-36-19-12-10-18(11-13-19)25-23(27(33)37-4-2)24(17-8-6-5-7-9-17)29-28-30(25)26(32)21(39-28)16-20-14-15-22(38-20)31(34)35/h5-16,25H,3-4H2,1-2H3/t25-/m1/s1

InChI Key

XKLAZIIHWIAVKN-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02374414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.687

Distribution Coefficient, logD

5.687

Water Solubility, LogSw

-5.52

Polar Surface Area

94.931

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 4096-2748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4096-2748?
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What is the minimum amount of 4096-2748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4096-2748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4096-2748
  • 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 4096-2748 available by request