5633-3603 Screening compound: (6E)-6-[(4-ethylphenyl)methylidene]-3-phenyl-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

5633-3603 Screening compound: (6E)-6-[(4-ethylphenyl)methylidene]-3-phenyl-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one
5633-3603 Screening compound: (6E)-6-[(4-ethylphenyl)methylidene]-3-phenyl-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5633-3603
(6E)-6-[(4-ethylphenyl)methylidene]-3-phenyl-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-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

5633-3603

Molecular Formula

C19H15N3OS (C19 H15 N3 OS)

Compound Name

(6E)-6-[(4-ethylphenyl)methylidene]-3-phenyl-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

IUPAC name

(6E)-6-[(4-ethylphenyl)methylidene]-3-phenyl-5H6H-[124]triazolo[34-b][13]thiazol-5-one

SMILES

CCc1ccc(/C=C2/Sc3nnc(-c4ccccc4)n3C2=O)cc1

InChI

InChI=1S/C19H15N3OS/c1-2-13-8-10-14(11-9-13)12-16-18(23)22-17(20-21-19(22)24-16)15-6-4-3-5-7-15/h3-12H,2H2,1H3

InChI Key

RETFRLYDEQETON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09539619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.24

Polar Surface Area

37.944

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5633-3603 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5633-3603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5633-3603?
Check Price and Availability of 5633-3603, 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 5633-3603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5633-3603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5633-3603
  • 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 5633-3603 available by request