T828-0308 Screening compound: N~6~-[1-(2-pyridyl)ethyl]-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide

T828-0308 Screening compound: N~6~-[1-(2-pyridyl)ethyl]-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide
T828-0308 Screening compound: N~6~-[1-(2-pyridyl)ethyl]-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T828-0308
N~6~-[1-(2-pyridyl)ethyl]-2-(1-pyrrolidinyl)-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

T828-0308

Molecular Formula

C20H25N5O (C20 H25 N5 O)

Compound Name

N~6~-[1-(2-pyridyl)ethyl]-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide

IUPAC name

n/a

SMILES

CC(c1ncccc1)NC(C(CC1)Cc2c1nc(N1CCCC1)nc2)=O

InChI

InChI=1S/C20H25N5O/c1-14(17-6-2-3-9-21-17)23-19(26)15-7-8-18-16(12-15)13-22-20(24-18)25-10-4-5-11-25/h2-3,6,9,13-15H,4-5,7-8,10-12H2,1H3,(H,23,26)

InChI Key

INOOZCLFEOYSBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

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

1.804

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-1.88

Polar Surface Area

56.122

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

T828-0308 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 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

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T828-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T828-0308?
Check Price and Availability of T828-0308, 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 T828-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T828-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T828-0308
  • 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 T828-0308 available by request