C191-0325 Screening compound: 6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide

C191-0325 Screening compound: 6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide
C191-0325 Screening compound: 6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0325
6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide

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

C191-0325

Molecular Formula

C26H30N4O5 (C26 H30 N4 O5)

Compound Name

6-(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide

IUPAC name

6-(67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide

SMILES

COc(c(OC)c1)cc(C(N2CCCCCC(NCCc3c[nH]c4c3cccc4)=O)=O)c1NC2=O

InChI

InChI=1S/C26H30N4O5/c1-34-22-14-19-21(15-23(22)35-2)29-26(33)30(25(19)32)13-7-3-4-10-24(31)27-12-11-17-16-28-20-9-6-5-8-18(17)20/h5-6,8-9,14-16,28H,3-4,7,10-13H2,1-2H3,(H,27,31)(H,29,33)

InChI Key

OIMCJJFNQBMZCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-3.18

Polar Surface Area

89.903

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C191-0325 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C191-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0325?
Check Price and Availability of C191-0325, 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 C191-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0325
  • 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 C191-0325 available by request