4298-0126 Screening compound: 2-[(1E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one

4298-0126 Screening compound: 2-[(1E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
4298-0126 Screening compound: 2-[(1E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0126
2-[(1E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-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

4298-0126

Molecular Formula

C28H25N3O3 (C28 H25 N3 O3)

Compound Name

2-[(1E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(1E)-2-(5-methoxy-12-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-34-dihydroquinazolin-4-one

SMILES

Cc1c(/C=C/C(N2c(cc3)ccc3OC)=Nc(cccc3)c3C2=O)c(cc(cc2)OC)c2n1C

InChI

InChI=1S/C28H25N3O3/c1-18-22(24-17-21(34-4)13-15-26(24)30(18)2)14-16-27-29-25-8-6-5-7-23(25)28(32)31(27)19-9-11-20(33-3)12-10-19/h5-17H,1-4H3

InChI Key

JUAVHUITEHMQOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01046988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.50

Polar Surface Area

41.964

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4298-0126 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 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 4298-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0126?
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What is the minimum amount of 4298-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0126
  • 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 4298-0126 available by request