8525-0381 Screening compound: 4-(4-propoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

8525-0381 Screening compound: 4-(4-propoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
8525-0381 Screening compound: 4-(4-propoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0381
4-(4-propoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

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

8525-0381

Molecular Formula

C18H19N5O (C18 H19 N5 O)

Compound Name

4-(4-propoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

IUPAC name

13-(4-propoxyphenyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-11-amine

SMILES

CCCOc1ccc(C2N=C(N)Nc3nc(cccc4)c4n23)cc1

InChI

InChI=1S/C18H19N5O/c1-2-11-24-13-9-7-12(8-10-13)16-21-17(19)22-18-20-14-5-3-4-6-15(14)23(16)18/h3-10,16H,2,11H2,1H3,(H3,19,20,21,22)/t16-/m1/s1

InChI Key

UAAZUSHFOBRURJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD08075815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

2.292

Water Solubility, LogSw

-4.00

Polar Surface Area

63.716

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8525-0381 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8525-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0381?
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What is the minimum amount of 8525-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0381
  • 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 8525-0381 available by request