4298-0109 Screening compound: 2-{[(3Z)-1-benzyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(4-methylphenyl)-3,4-dihydroquinazolin-4-one

4298-0109 Screening compound: 2-{[(3Z)-1-benzyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
4298-0109 Screening compound: 2-{[(3Z)-1-benzyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(4-methylphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0109
2-{[(3Z)-1-benzyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(4-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

4298-0109

Molecular Formula

C31H23N3O2 (C31 H23 N3 O2)

Compound Name

2-{[(3Z)-1-benzyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(4-methylphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[(3Z)-1-benzyl-2-oxo-23-dihydro-1H-indol-3-ylidene]methyl}-3-(4-methylphenyl)-34-dihydroquinazolin-4-one

SMILES

Cc(cc1)ccc1N(C(/C=C(/c(cccc1)c1N1Cc2ccccc2)\C1=O)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C31H23N3O2/c1-21-15-17-23(18-16-21)34-29(32-27-13-7-5-12-25(27)31(34)36)19-26-24-11-6-8-14-28(24)33(30(26)35)20-22-9-3-2-4-10-22/h2-19H,20H2,1H3

InChI Key

HQMGXIBSKBOGSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01046970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.191

Distribution Coefficient, logD

5.190

Water Solubility, LogSw

-5.14

Polar Surface Area

40.063

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

4298-0109 in Drug Discovery

Included in Screening Libraries

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 4298-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0109?
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What is the minimum amount of 4298-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0109
  • 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 4298-0109 available by request