4298-0175 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one

4298-0175 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one
4298-0175 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0175
2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one

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

4298-0175

Molecular Formula

C27H23N3O (C27 H23 N3 O)

Compound Name

2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(1E)-2-(12-dimethyl-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)-34-dihydroquinazolin-4-one

SMILES

Cc1c(/C=C/C(N2c3c(C)cccc3)=Nc(cccc3)c3C2=O)c(cccc2)c2n1C

InChI

InChI=1S/C27H23N3O/c1-18-10-4-8-14-24(18)30-26(28-23-13-7-5-12-22(23)27(30)31)17-16-20-19(2)29(3)25-15-9-6-11-21(20)25/h4-17H,1-3H3

InChI Key

LQJAZUGLHOAARY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01558816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-4.48

Polar Surface Area

26.575

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4298-0175 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4298-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0175?
Check Price and Availability of 4298-0175, 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 4298-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0175
  • 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 4298-0175 available by request