T828-0525 Screening compound: N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

T828-0525 Screening compound: N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
T828-0525 Screening compound: N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T828-0525
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(piperidin-1-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

T828-0525

Molecular Formula

C22H25F3N4O2 (C22 H25 F3 N4 O2)

Compound Name

N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

IUPAC name

N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(piperidin-1-yl)-5678-tetrahydroquinazoline-6-carboxamide

SMILES

COc(cc1)c(C(F)(F)F)cc1NC(C(CC1)Cc2c1nc(N1CCCCC1)nc2)=O

InChI

InChI=1S/C22H25F3N4O2/c1-31-19-8-6-16(12-17(19)22(23,24)25)27-20(30)14-5-7-18-15(11-14)13-26-21(28-18)29-9-3-2-4-10-29/h6,8,12-14H,2-5,7,9-11H2,1H3,(H,27,30)/t14-/m0/s1

InChI Key

PZHHULMMWMIXRI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27623875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

3.962

Water Solubility, LogSw

-4.08

Polar Surface Area

53.854

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T828-0525 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T828-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T828-0525?
Check Price and Availability of T828-0525, 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 T828-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T828-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T828-0525
  • 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 T828-0525 available by request