F595-0098 Screening compound: 7-(4-methoxyphenyl)-3-[(3-methylbutyl)sulfanyl]-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

F595-0098 Screening compound: 7-(4-methoxyphenyl)-3-[(3-methylbutyl)sulfanyl]-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole
F595-0098 Screening compound: 7-(4-methoxyphenyl)-3-[(3-methylbutyl)sulfanyl]-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0098
7-(4-methoxyphenyl)-3-[(3-methylbutyl)sulfanyl]-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

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

F595-0098

Molecular Formula

C16H22N4OS (C16 H22 N4 OS)

Compound Name

7-(4-methoxyphenyl)-3-[(3-methylbutyl)sulfanyl]-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

IUPAC name

7-(4-methoxyphenyl)-3-[(3-methylbutyl)sulfanyl]-5H6H7H-imidazo[21-c][124]triazole

SMILES

CC(C)CCSc(n1CC2)nnc1N2c(cc1)ccc1OC

InChI

InChI=1S/C16H22N4OS/c1-12(2)8-11-22-16-18-17-15-19(9-10-20(15)16)13-4-6-14(21-3)7-5-13/h4-7,12H,8-11H2,1-3H3

InChI Key

ODGDVGTUGBIFES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08922605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.911

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-3.97

Polar Surface Area

34.538

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F595-0098 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous 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 F595-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0098?
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What is the minimum amount of F595-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0098
  • 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 F595-0098 available by request