F595-0391 Screening compound: N-(3,5-dimethylphenyl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

F595-0391 Screening compound: N-(3,5-dimethylphenyl)-2-{[7-(4-ethoxyphenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
F595-0391 Screening compound: N-(3,5-dimethylphenyl)-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 F595-0391
N-(3,5-dimethylphenyl)-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

F595-0391

Molecular Formula

C22H25N5O2S (C22 H25 N5 O2 S)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-2-{[7-(4-ethoxyphenyl)-5H6H7H-imidazo[21-c][124]triazol-3-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1N(CCn12)c2nnc1SCC(Nc1cc(C)cc(C)c1)=O

InChI

InChI=1S/C22H25N5O2S/c1-4-29-19-7-5-18(6-8-19)26-9-10-27-21(26)24-25-22(27)30-14-20(28)23-17-12-15(2)11-16(3)13-17/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,23,28)

InChI Key

HXQJLROFLPECPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08922411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.17

Polar Surface Area

56.995

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F595-0391 in Drug Discovery

Included in Screening Libraries

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 F595-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0391?
Check Price and Availability of F595-0391, 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 F595-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0391
  • 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 F595-0391 available by request