5227-0913 Screening compound: 5-(4-ethoxyphenyl)-2-phenyl-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one

5227-0913 Screening compound: 5-(4-ethoxyphenyl)-2-phenyl-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one
5227-0913 Screening compound: 5-(4-ethoxyphenyl)-2-phenyl-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5227-0913
5-(4-ethoxyphenyl)-2-phenyl-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-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

5227-0913

Molecular Formula

C19H17N3O2S (C19 H17 N3 O2 S)

Compound Name

5-(4-ethoxyphenyl)-2-phenyl-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one

IUPAC name

5-(4-ethoxyphenyl)-2-phenyl-5H6H7H-[124]triazolo[32-b][13]thiazin-7-one

SMILES

CCOc1ccc(C(C2)Sc3nc(-c4ccccc4)nn3C2=O)cc1

InChI

InChI=1S/C19H17N3O2S/c1-2-24-15-10-8-13(9-11-15)16-12-17(23)22-19(25-16)20-18(21-22)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3/t16-/m0/s1

InChI Key

OBGGRJMEZBTICY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03621203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.18

Polar Surface Area

44.231

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

5227-0913 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5227-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5227-0913?
Check Price and Availability of 5227-0913, 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 5227-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5227-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5227-0913
  • 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 5227-0913 available by request