T828-0764 Screening compound: 2-(4-methylpiperidino)-N-(4-pyridylmethyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide

T828-0764 Screening compound: 2-(4-methylpiperidino)-N-(4-pyridylmethyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide
T828-0764 Screening compound: 2-(4-methylpiperidino)-N-(4-pyridylmethyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T828-0764
2-(4-methylpiperidino)-N-(4-pyridylmethyl)-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

T828-0764

Molecular Formula

C21H27N5O (C21 H27 N5 O)

Compound Name

2-(4-methylpiperidino)-N-(4-pyridylmethyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide

IUPAC name

n/a

SMILES

CC(CC1)CCN1c1nc(CCC(C2)C(NCc3ccncc3)=O)c2cn1

InChI

InChI=1S/C21H27N5O/c1-15-6-10-26(11-7-15)21-24-14-18-12-17(2-3-19(18)25-21)20(27)23-13-16-4-8-22-9-5-16/h4-5,8-9,14-15,17H,2-3,6-7,10-13H2,1H3,(H,23,27)/t17-/m0/s1

InChI Key

STYXDIKYGPVRKR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27623896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.872

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-1.81

Polar Surface Area

56.974

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

T828-0764 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T828-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T828-0764?
Check Price and Availability of T828-0764, 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 T828-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T828-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T828-0764
  • 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 T828-0764 available by request