5066-0067 Screening compound: 6,8-diethyl (2Z)-5-amino-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

5066-0067 Screening compound: 6,8-diethyl (2Z)-5-amino-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
5066-0067 Screening compound: 6,8-diethyl (2Z)-5-amino-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5066-0067
6,8-diethyl (2Z)-5-amino-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

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

5066-0067

Molecular Formula

C28H28N2O9S (C28 H28 N2 O9 S)

Compound Name

6,8-diethyl (2Z)-5-amino-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

IUPAC name

68-diethyl (2Z)-5-amino-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2H3H7H-[13]thiazolo[32-a]pyridine-68-dicarboxylate

SMILES

CCOC(C(C(c(cc1)cc(OC)c1O)C(C(OCC)=O)=C(N)N1C2=O)=C1S/C2=C\c(cc1)cc(OC)c1O)=O

InChI

InChI=1S/C28H28N2O9S/c1-5-38-27(34)22-21(15-8-10-17(32)19(13-15)37-4)23(28(35)39-6-2)26-30(24(22)29)25(33)20(40-26)12-14-7-9-16(31)18(11-14)36-3/h7-13,21,31-32H,5-6,29H2,1-4H3/t21-/m0/s1

InChI Key

BLWFDBNTGVCNJS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02061552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.02

Polar Surface Area

126.154

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5066-0067 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5066-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5066-0067?
Check Price and Availability of 5066-0067, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5066-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5066-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5066-0067
  • 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 5066-0067 available by request