F595-0422 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

F595-0422 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
F595-0422 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-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 F595-0422
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

F595-0422

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(CCn12)c2nnc1SCC(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C22H23N5O4S/c1-2-29-17-6-4-16(5-7-17)26-9-10-27-21(26)24-25-22(27)32-13-20(28)23-12-15-3-8-18-19(11-15)31-14-30-18/h3-8,11H,2,9-10,12-14H2,1H3,(H,23,28)

InChI Key

YSBLCXMOWQNQFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08922445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.51

Polar Surface Area

75.433

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F595-0422 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F595-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0422?
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What is the minimum amount of F595-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0422
  • 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 F595-0422 available by request