7376-0082 Screening compound: 6-(4-fluorophenyl)-2-phenethyl-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazole

7376-0082 Screening compound: 6-(4-fluorophenyl)-2-phenethyl-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazole
7376-0082 Screening compound: 6-(4-fluorophenyl)-2-phenethyl-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7376-0082
6-(4-fluorophenyl)-2-phenethyl-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazole

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

7376-0082

Molecular Formula

C25H23FN6 (C25 H23 FN6)

Compound Name

6-(4-fluorophenyl)-2-phenethyl-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazole

IUPAC name

9-(4-fluorophenyl)-4-(2-phenylethyl)-24681017-hexaazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)7111315-pentaene

SMILES

Fc1ccc(C2N=C(NCN(CCc3ccccc3)C3)N3c3nc(cccc4)c4n23)cc1

InChI

InChI=1S/C25H23FN6/c26-20-12-10-19(11-13-20)23-29-24-27-16-30(15-14-18-6-2-1-3-7-18)17-31(24)25-28-21-8-4-5-9-22(21)32(23)25/h1-13,23H,14-17H2,(H,27,29)/t23-/m1/s1

InChI Key

PWPNBYQDZLLXGS-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05680949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.320

Distribution Coefficient, logD

4.951

Water Solubility, LogSw

-5.71

Polar Surface Area

38.641

Acid Dissociation Constant (pKa)

17.95

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

7376-0082 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7376-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7376-0082?
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What is the minimum amount of 7376-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7376-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7376-0082
  • 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 7376-0082 available by request