Y020-0530 Screening compound: 1-phenyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-ethanone

Y020-0530 Screening compound: 1-phenyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-ethanone
Y020-0530 Screening compound: 1-phenyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0530
1-phenyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-ethanone

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

Y020-0530

Molecular Formula

C16H11N3OS2 (C16 H11 N3 OS2)

Compound Name

1-phenyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-ethanone

IUPAC name

1-phenyl-2-{7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}ethan-1-one

SMILES

O=C(CSc1nnc2sc(cccc3)c3n12)c1ccccc1

InChI

InChI=1S/C16H11N3OS2/c20-13(11-6-2-1-3-7-11)10-21-15-17-18-16-19(15)12-8-4-5-9-14(12)22-16/h1-9H,10H2

InChI Key

FVWMTTZWTYQKQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

3.453

Water Solubility, LogSw

-3.68

Polar Surface Area

35.554

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

Y020-0530 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y020-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0530?
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What is the minimum amount of Y020-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0530
  • 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 Y020-0530 available by request