T828-0895 Screening compound: (4-methyl-1,4-diazepan-1-yl)[2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinyl]methanone

T828-0895 Screening compound: (4-methyl-1,4-diazepan-1-yl)[2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinyl]methanone
T828-0895 Screening compound: (4-methyl-1,4-diazepan-1-yl)[2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T828-0895
(4-methyl-1,4-diazepan-1-yl)[2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinyl]methanone

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

T828-0895

Molecular Formula

C21H33N5O (C21 H33 N5 O)

Compound Name

(4-methyl-1,4-diazepan-1-yl)[2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinyl]methanone

IUPAC name

6-(4-methyl-14-diazepane-1-carbonyl)-2-(4-methylpiperidin-1-yl)-5678-tetrahydroquinazoline

SMILES

CC(CC1)CCN1c1nc(CCC(C2)C(N3CCN(C)CCC3)=O)c2cn1

InChI

InChI=1S/C21H33N5O/c1-16-6-10-26(11-7-16)21-22-15-18-14-17(4-5-19(18)23-21)20(27)25-9-3-8-24(2)12-13-25/h15-17H,3-14H2,1-2H3/t17-/m0/s1

InChI Key

VBNCAGGMYAJPJG-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

371.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.119

Distribution Coefficient, logD

0.665

Water Solubility, LogSw

-2.08

Polar Surface Area

43.588

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.19

T828-0895 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Hsp90-Targeted Library (11355 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T828-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T828-0895?
Check Price and Availability of T828-0895, 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 T828-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T828-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T828-0895
  • 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 T828-0895 available by request