7695-0197 Screening compound: 4-{3-[3-phenethyl-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]propyl}morpholine

7695-0197 Screening compound: 4-{3-[3-phenethyl-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]propyl}morpholine
7695-0197 Screening compound: 4-{3-[3-phenethyl-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]propyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7695-0197
4-{3-[3-phenethyl-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]propyl}morpholine

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

7695-0197

Molecular Formula

C24H31N5O (C24 H31 N5 O)

Compound Name

4-{3-[3-phenethyl-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]propyl}morpholine

IUPAC name

10-[3-(morpholin-4-yl)propyl]-12-(2-phenylethyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene

SMILES

C(CN1CCOCC1)CN1c2nc(cccc3)c3n2CN(CCc2ccccc2)C1

InChI

InChI=1S/C24H31N5O/c1-2-7-21(8-3-1)11-14-27-19-28(13-6-12-26-15-17-30-18-16-26)24-25-22-9-4-5-10-23(22)29(24)20-27/h1-5,7-10H,6,11-20H2

InChI Key

ZLSCVEJHXGTEDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

2.679

Water Solubility, LogSw

-4.15

Polar Surface Area

29.597

Acid Dissociation Constant (pKa)

24.55

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

7695-0197 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Human GPCR Annotated Library (5539 compounds)

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 7695-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7695-0197?
Check Price and Availability of 7695-0197, 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 7695-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7695-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7695-0197
  • 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 7695-0197 available by request