Y020-8693 Screening compound: N~1~-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)acetamide

Y020-8693 Screening compound: N~1~-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)acetamide
Y020-8693 Screening compound: N~1~-[4-(4-chlorophenyl)-1,3-thiazol-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 Y020-8693
N~1~-[4-(4-chlorophenyl)-1,3-thiazol-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

Y020-8693

Molecular Formula

C19H13ClN6OS2 (C19 H13 ClN6 OS2)

Compound Name

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

IUPAC name

N-[4-(4-chlorophenyl)-13-thiazol-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(-c(cc2)ccc2Cl)cs1

InChI

InChI=1S/C19H13ClN6OS2/c20-12-7-5-11(6-8-12)14-9-28-18(22-14)23-16(27)10-29-19-25-24-17-21-13-3-1-2-4-15(13)26(17)19/h1-9H,10H2,(H,21,24)(H,22,23,27)

InChI Key

JGKHRXVXTNLUMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09438897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-5.05

Polar Surface Area

65.055

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

Y020-8693 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 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
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-8693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8693?
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What is the minimum amount of Y020-8693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8693
  • 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 Y020-8693 available by request