T828-1588 Screening compound: methyl 3-[2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-amido]benzoate

T828-1588 Screening compound: methyl 3-[2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-amido]benzoate
T828-1588 Screening compound: methyl 3-[2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T828-1588
methyl 3-[2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-amido]benzoate

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

T828-1588

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

methyl 3-[2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-amido]benzoate

IUPAC name

methyl 3-[2-(diethylamino)-5678-tetrahydroquinazoline-6-amido]benzoate

SMILES

CCN(CC)c1nc(CCC(C2)C(Nc3cccc(C(OC)=O)c3)=O)c2cn1

InChI

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

InChI Key

QKDFZYNSVZTJGO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27642723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-3.42

Polar Surface Area

66.681

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

T828-1588 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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T828-1588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T828-1588?
Check Price and Availability of T828-1588, 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 T828-1588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T828-1588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T828-1588
  • 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 T828-1588 available by request