T828-1447 Screening compound: 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

T828-1447 Screening compound: 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
T828-1447 Screening compound: 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T828-1447
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

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

T828-1447

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

IUPAC name

2-(diethylamino)-N-(23-dihydro-14-benzodioxin-6-yl)-5678-tetrahydroquinazoline-6-carboxamide

SMILES

CCN(CC)c1nc(CCC(C2)C(Nc(cc3)cc4c3OCCO4)=O)c2cn1

InChI

InChI=1S/C21H26N4O3/c1-3-25(4-2)21-22-13-15-11-14(5-7-17(15)24-21)20(26)23-16-6-8-18-19(12-16)28-10-9-27-18/h6,8,12-14H,3-5,7,9-11H2,1-2H3,(H,23,26)/t14-/m0/s1

InChI Key

GMBFIOQLESAKRG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27624034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.150

Distribution Coefficient, logD

2.146

Water Solubility, LogSw

-2.82

Polar Surface Area

61.330

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

T828-1447 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T828-1447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T828-1447?
Check Price and Availability of T828-1447, 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 T828-1447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T828-1447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T828-1447
  • 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 T828-1447 available by request