5066-0175 Screening compound: ethyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

5066-0175 Screening compound: ethyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
5066-0175 Screening compound: ethyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5066-0175
ethyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-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

5066-0175

Molecular Formula

C27H22N4O5S2 (C27 H22 N4 O5 S2)

Compound Name

ethyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

IUPAC name

ethyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H3H7H-[13]thiazolo[32-a]pyridine-8-carboxylate

SMILES

CCOC(C(C(c1cnccc1)C(S(c1ccccc1)(=O)=O)=C(N)N1C2=O)=C1S/C2=C\c1cnccc1)=O

InChI

InChI=1S/C27H22N4O5S2/c1-2-36-27(33)22-21(18-9-7-13-30-16-18)23(38(34,35)19-10-4-3-5-11-19)24(28)31-25(32)20(37-26(22)31)14-17-8-6-12-29-15-17/h3-16,21H,2,28H2,1H3/t21-/m0/s1

InChI Key

MZGIALHUGWOBJV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02949240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.06

Polar Surface Area

105.580

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

5066-0175 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 5066-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5066-0175?
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What is the minimum amount of 5066-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5066-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5066-0175
  • 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 5066-0175 available by request