4298-0148 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(3-methoxyphenyl)-3,4-dihydroquinazolin-4-one

4298-0148 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(3-methoxyphenyl)-3,4-dihydroquinazolin-4-one
4298-0148 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(3-methoxyphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0148
2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(3-methoxyphenyl)-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

4298-0148

Molecular Formula

C27H23N3O2 (C27 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(/C=C/C(N2c3cc(OC)ccc3)=Nc(cccc3)c3C2=O)c(cccc2)c2n1C

InChI

InChI=1S/C27H23N3O2/c1-18-21(22-11-5-7-14-25(22)29(18)2)15-16-26-28-24-13-6-4-12-23(24)27(31)30(26)19-9-8-10-20(17-19)32-3/h4-17H,1-3H3

InChI Key

ATISUSNWHGODDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01558996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.50

Polar Surface Area

34.420

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4298-0148 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 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 4298-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0148?
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What is the minimum amount of 4298-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0148
  • 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 4298-0148 available by request