8011-1960 Screening compound: ethyl (2E)-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8011-1960 Screening compound: ethyl (2E)-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8011-1960 Screening compound: ethyl (2E)-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1960
ethyl (2E)-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2H,3H,7H-[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

8011-1960

Molecular Formula

C24H21N3O7S (C24 H21 N3 O7 S)

Compound Name

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

IUPAC name

ethyl (2E)-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2H3H7H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)N(C(/C(/S2)=C\c3cc([N+]([O-])=O)ccc3)=O)C2=NC1c(cc1)cc(OC)c1O)=O

InChI

InChI=1S/C24H21N3O7S/c1-4-34-23(30)20-13(2)26-22(29)19(11-14-6-5-7-16(10-14)27(31)32)35-24(26)25-21(20)15-8-9-17(28)18(12-15)33-3/h5-12,21,28H,4H2,1-3H3/t21-/m0/s1

InChI Key

SJHZSFLBEFCELY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02648153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.49

Polar Surface Area

104.288

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

8011-1960 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-1960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1960?
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What is the minimum amount of 8011-1960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1960
  • 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 8011-1960 available by request