2435-0052 Screening compound: ethyl (2E)-5-amino-6-cyano-3-oxo-7-(thiophen-2-yl)-2-[(thiophen-2-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

2435-0052 Screening compound: ethyl (2E)-5-amino-6-cyano-3-oxo-7-(thiophen-2-yl)-2-[(thiophen-2-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
2435-0052 Screening compound: ethyl (2E)-5-amino-6-cyano-3-oxo-7-(thiophen-2-yl)-2-[(thiophen-2-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2435-0052
ethyl (2E)-5-amino-6-cyano-3-oxo-7-(thiophen-2-yl)-2-[(thiophen-2-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

2435-0052

Molecular Formula

C20H15N3O3S3 (C20 H15 N3 O3 S3)

Compound Name

ethyl (2E)-5-amino-6-cyano-3-oxo-7-(thiophen-2-yl)-2-[(thiophen-2-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

IUPAC name

ethyl (2E)-5-amino-6-cyano-3-oxo-7-(thiophen-2-yl)-2-[(thiophen-2-yl)methylidene]-2H3H7H-[13]thiazolo[32-a]pyridine-8-carboxylate

SMILES

CCOC(C(C(c1cccs1)C(C#N)=C(N)N1C2=O)=C1S/C2=C/c1cccs1)=O

InChI

InChI=1S/C20H15N3O3S3/c1-2-26-20(25)16-15(13-6-4-8-28-13)12(10-21)17(22)23-18(24)14(29-19(16)23)9-11-5-3-7-27-11/h3-9,15H,2,22H2,1H3/t15-/m1/s1

InChI Key

AQQRLFFHPCCEGF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00762415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.27

Polar Surface Area

76.136

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

2435-0052 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 2435-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2435-0052?
Check Price and Availability of 2435-0052, 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 2435-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2435-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2435-0052
  • 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 2435-0052 available by request