8525-0202 Screening compound: 4-{3-[1-(tetrahydro-2-furanylmethyl)-1,2-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-3(4H)-yl]propyl}morpholine

8525-0202 Screening compound: 4-{3-[1-(tetrahydro-2-furanylmethyl)-1,2-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-3(4H)-yl]propyl}morpholine
8525-0202 Screening compound: 4-{3-[1-(tetrahydro-2-furanylmethyl)-1,2-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-3(4H)-yl]propyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0202
4-{3-[1-(tetrahydro-2-furanylmethyl)-1,2-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-3(4H)-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

8525-0202

Molecular Formula

C21H31N5O2 (C21 H31 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

C(CN1CCOCC1)CN1CN(CC2OCCC2)c2nc(cccc3)c3n2C1

InChI

InChI=1S/C21H31N5O2/c1-2-7-20-19(6-1)22-21-25(15-18-5-3-12-28-18)16-24(17-26(20)21)9-4-8-23-10-13-27-14-11-23/h1-2,6-7,18H,3-5,8-17H2/t18-/m1/s1

InChI Key

MGXIWKUSOJGBCY-GOSISDBHSA-N

MDL Number (MFCD)

MFCD08075664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.377

Distribution Coefficient, logD

1.125

Water Solubility, LogSw

-2.33

Polar Surface Area

38.273

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

8525-0202 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)

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8525-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0202?
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What is the minimum amount of 8525-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0202
  • 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 8525-0202 available by request