F595-0122 Screening compound: methyl 2-{[7-(4-methoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}propanoate

F595-0122 Screening compound: methyl 2-{[7-(4-methoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}propanoate
F595-0122 Screening compound: methyl 2-{[7-(4-methoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0122
methyl 2-{[7-(4-methoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}propanoate

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

F595-0122

Molecular Formula

C15H18N4O3S (C15 H18 N4 O3 S)

Compound Name

methyl 2-{[7-(4-methoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}propanoate

IUPAC name

methyl 2-{[7-(4-methoxyphenyl)-5H6H7H-imidazo[21-c][124]triazol-3-yl]sulfanyl}propanoate

SMILES

CC(C(OC)=O)Sc(n1CC2)nnc1N2c(cc1)ccc1OC

InChI

InChI=1S/C15H18N4O3S/c1-10(13(20)22-3)23-15-17-16-14-18(8-9-19(14)15)11-4-6-12(21-2)7-5-11/h4-7,10H,8-9H2,1-3H3/t10-/m0/s1

InChI Key

FVWOUHCUALJQJU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD08922632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-2.91

Polar Surface Area

55.712

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

F595-0122 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 F595-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0122?
Check Price and Availability of F595-0122, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F595-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0122
  • 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 F595-0122 available by request