F595-0426 Screening compound: N-(1,3-benzothiazol-2-yl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

F595-0426 Screening compound: N-(1,3-benzothiazol-2-yl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
F595-0426 Screening compound: N-(1,3-benzothiazol-2-yl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0426
N-(1,3-benzothiazol-2-yl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}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

F595-0426

Molecular Formula

C21H20N6O2S2 (C21 H20 N6 O2 S2)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-{[7-(4-ethoxyphenyl)-5H6H7H-imidazo[21-c][124]triazol-3-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1N(CCn12)c2nnc1SCC(Nc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C21H20N6O2S2/c1-2-29-15-9-7-14(8-10-15)26-11-12-27-20(26)24-25-21(27)30-13-18(28)23-19-22-16-5-3-4-6-17(16)31-19/h3-10H,2,11-13H2,1H3,(H,22,23,28)

InChI Key

GPBLRQOKTZIJKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08922450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.477

Distribution Coefficient, logD

4.445

Water Solubility, LogSw

-4.09

Polar Surface Area

66.757

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F595-0426 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F595-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0426?
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What is the minimum amount of F595-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0426
  • 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 F595-0426 available by request