5629-0612 Screening compound: (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5629-0612 Screening compound: (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5629-0612 Screening compound: (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0612
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

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

5629-0612

Molecular Formula

C14H9N3O2S2 (C14 H9 N3 O2 S2)

Compound Name

(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(thiophen-2-yl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

Cc1ccc(/C=C2\Sc3nc(-c4cccs4)nn3C2=O)o1

InChI

InChI=1S/C14H9N3O2S2/c1-8-4-5-9(19-8)7-11-13(18)17-14(21-11)15-12(16-17)10-3-2-6-20-10/h2-7H,1H3

InChI Key

RJNWHGNGUMPCAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.655

Water Solubility, LogSw

-3.83

Polar Surface Area

45.477

Acid Dissociation Constant (pKa)

33.22

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5629-0612 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5629-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0612?
Check Price and Availability of 5629-0612, 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 5629-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0612
  • 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 5629-0612 available by request