T828-1012 Screening compound: N-[2-(1-azepanyl)-2-oxoethyl]-N-methyl-2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide

T828-1012 Screening compound: N-[2-(1-azepanyl)-2-oxoethyl]-N-methyl-2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide
T828-1012 Screening compound: N-[2-(1-azepanyl)-2-oxoethyl]-N-methyl-2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T828-1012
N-[2-(1-azepanyl)-2-oxoethyl]-N-methyl-2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide

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

T828-1012

Molecular Formula

C24H37N5O2 (C24 H37 N5 O2)

Compound Name

N-[2-(1-azepanyl)-2-oxoethyl]-N-methyl-2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide

IUPAC name

N-[2-(azepan-1-yl)-2-oxoethyl]-N-methyl-2-(4-methylpiperidin-1-yl)-5678-tetrahydroquinazoline-6-carboxamide

SMILES

CC(CC1)CCN1c1nc(CCC(C2)C(N(C)CC(N3CCCCCC3)=O)=O)c2cn1

InChI

InChI=1S/C24H37N5O2/c1-18-9-13-29(14-10-18)24-25-16-20-15-19(7-8-21(20)26-24)23(31)27(2)17-22(30)28-11-5-3-4-6-12-28/h16,18-19H,3-15,17H2,1-2H3/t19-/m0/s1

InChI Key

XLJQJEKGHUZUOI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27623925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.59

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

2.793

Distribution Coefficient, logD

2.792

Water Solubility, LogSw

-2.82

Polar Surface Area

56.006

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

T828-1012 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T828-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T828-1012?
Check Price and Availability of T828-1012, 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 T828-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T828-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T828-1012
  • 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 T828-1012 available by request