6210-0537 Screening compound: (6E)-6-{[4-(diethylamino)phenyl]methylidene}-3-(2-methylphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

6210-0537 Screening compound: (6E)-6-{[4-(diethylamino)phenyl]methylidene}-3-(2-methylphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one
6210-0537 Screening compound: (6E)-6-{[4-(diethylamino)phenyl]methylidene}-3-(2-methylphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6210-0537
(6E)-6-{[4-(diethylamino)phenyl]methylidene}-3-(2-methylphenyl)-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

6210-0537

Molecular Formula

C22H22N4OS (C22 H22 N4 OS)

Compound Name

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

IUPAC name

(6E)-6-{[4-(diethylamino)phenyl]methylidene}-3-(2-methylphenyl)-5H6H-[124]triazolo[34-b][13]thiazol-5-one

SMILES

CCN(CC)c1ccc(/C=C2/Sc3nnc(-c4c(C)cccc4)n3C2=O)cc1

InChI

InChI=1S/C22H22N4OS/c1-4-25(5-2)17-12-10-16(11-13-17)14-19-21(27)26-20(23-24-22(26)28-19)18-9-7-6-8-15(18)3/h6-14H,4-5H2,1-3H3

InChI Key

OHBSLURBCZIRKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02984518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.367

Water Solubility, LogSw

-4.44

Polar Surface Area

40.681

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

6210-0537 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS Annotated Library (688 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 6210-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6210-0537?
Check Price and Availability of 6210-0537, 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 6210-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6210-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6210-0537
  • 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 6210-0537 available by request