Y020-3450 Screening compound: N~1~-(6-chloro-1,3-benzothiazol-2-yl)-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)acetamide

Y020-3450 Screening compound: N~1~-(6-chloro-1,3-benzothiazol-2-yl)-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)acetamide
Y020-3450 Screening compound: N~1~-(6-chloro-1,3-benzothiazol-2-yl)-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3450
N~1~-(6-chloro-1,3-benzothiazol-2-yl)-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)acetamide

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

Y020-3450

Molecular Formula

C17H11ClN6OS2 (C17 H11 ClN6 OS2)

Compound Name

N~1~-(6-chloro-1,3-benzothiazol-2-yl)-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)acetamide

IUPAC name

N-(6-chloro-13-benzothiazol-2-yl)-2-{2457-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}acetamide

SMILES

O=C(CSc1nnc2n1c(cccc1)c1[nH]2)Nc1nc(ccc(Cl)c2)c2s1

InChI

InChI=1S/C17H11ClN6OS2/c18-9-5-6-11-13(7-9)27-16(20-11)21-14(25)8-26-17-23-22-15-19-10-3-1-2-4-12(10)24(15)17/h1-7H,8H2,(H,19,22)(H,20,21,25)

InChI Key

FAQIKMJUSCPRQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09438896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.911

Water Solubility, LogSw

-4.38

Polar Surface Area

65.041

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

Y020-3450 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-3450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3450?
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What is the minimum amount of Y020-3450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3450
  • 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 Y020-3450 available by request