5066-0002 Screening compound: 8-ethyl 6-methyl (2Z)-5-amino-3-oxo-7-(pyridin-4-yl)-2-[(pyridin-4-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

5066-0002 Screening compound: 8-ethyl 6-methyl (2Z)-5-amino-3-oxo-7-(pyridin-4-yl)-2-[(pyridin-4-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
5066-0002 Screening compound: 8-ethyl 6-methyl (2Z)-5-amino-3-oxo-7-(pyridin-4-yl)-2-[(pyridin-4-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5066-0002
8-ethyl 6-methyl (2Z)-5-amino-3-oxo-7-(pyridin-4-yl)-2-[(pyridin-4-yl)methylidene]-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

5066-0002

Molecular Formula

C23H20N4O5S (C23 H20 N4 O5 S)

Compound Name

8-ethyl 6-methyl (2Z)-5-amino-3-oxo-7-(pyridin-4-yl)-2-[(pyridin-4-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

IUPAC name

8-ethyl 6-methyl (2Z)-5-amino-3-oxo-7-(pyridin-4-yl)-2-[(pyridin-4-yl)methylidene]-2H3H7H-[13]thiazolo[32-a]pyridine-68-dicarboxylate

SMILES

CCOC(C(C(c1ccncc1)C(C(OC)=O)=C(N)N1C2=O)=C1S/C2=C\c1ccncc1)=O

InChI

InChI=1S/C23H20N4O5S/c1-3-32-23(30)18-16(14-6-10-26-11-7-14)17(22(29)31-2)19(24)27-20(28)15(33-21(18)27)12-13-4-8-25-9-5-13/h4-12,16H,3,24H2,1-2H3/t16-/m0/s1

InChI Key

HHRWUPHINUWWGA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01416799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.635

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-1.93

Polar Surface Area

97.074

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

5066-0002 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5066-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5066-0002?
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What is the minimum amount of 5066-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5066-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5066-0002
  • 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 5066-0002 available by request