T828-0168 Screening compound: N~6~-[2-(1H-indol-3-yl)ethyl]-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide

T828-0168 Screening compound: N~6~-[2-(1H-indol-3-yl)ethyl]-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide
T828-0168 Screening compound: N~6~-[2-(1H-indol-3-yl)ethyl]-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T828-0168
N~6~-[2-(1H-indol-3-yl)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

T828-0168

Molecular Formula

C23H27N5O (C23 H27 N5 O)

Compound Name

N~6~-[2-(1H-indol-3-yl)ethyl]-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide

IUPAC name

n/a

SMILES

O=C(C(CC1)Cc2c1nc(N1CCCC1)nc2)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C23H27N5O/c29-22(24-10-9-17-14-25-21-6-2-1-5-19(17)21)16-7-8-20-18(13-16)15-26-23(27-20)28-11-3-4-12-28/h1-2,5-6,14-16,25H,3-4,7-13H2,(H,24,29)/t16-/m0/s1

InChI Key

KBTNRBAJRXVIJJ-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-2.96

Polar Surface Area

57.624

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

T828-0168 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 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)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T828-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T828-0168?
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What is the minimum amount of T828-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T828-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T828-0168
  • 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 T828-0168 available by request