T828-0665 Screening compound: 6-{4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl}-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline

T828-0665 Screening compound: 6-{4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl}-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline
T828-0665 Screening compound: 6-{4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl}-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound T828-0665
6-{4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl}-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline

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

T828-0665

Molecular Formula

C26H35N5O2 (C26 H35 N5 O2)

Compound Name

6-{4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl}-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline

IUPAC name

6-{4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl}-2-(piperidin-1-yl)-5678-tetrahydroquinazoline

SMILES

COc1c(CN(CC2)CCN2C(C(CC2)Cc3c2nc(N2CCCCC2)nc3)=O)cccc1

InChI

InChI=1S/C26H35N5O2/c1-33-24-8-4-3-7-21(24)19-29-13-15-30(16-14-29)25(32)20-9-10-23-22(17-20)18-27-26(28-23)31-11-5-2-6-12-31/h3-4,7-8,18,20H,2,5-6,9-17,19H2,1H3/t20-/m0/s1

InChI Key

ARNHKGBAZDGFDD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27623887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-2.96

Polar Surface Area

50.951

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.70

T828-0665 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
  • Kinases
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T828-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T828-0665?
Check Price and Availability of T828-0665, 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 T828-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T828-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T828-0665
  • 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 T828-0665 available by request