4649-0119 Screening compound: 3-(4-methylphenyl)-2-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3,4-dihydroquinazolin-4-one

4649-0119 Screening compound: 3-(4-methylphenyl)-2-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3,4-dihydroquinazolin-4-one
4649-0119 Screening compound: 3-(4-methylphenyl)-2-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4649-0119
3-(4-methylphenyl)-2-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-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

4649-0119

Molecular Formula

C24H17N3O2 (C24 H17 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(/C=C(/c(cccc1)c1N1)\C1=O)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C24H17N3O2/c1-15-10-12-16(13-11-15)27-22(25-21-9-5-3-7-18(21)24(27)29)14-19-17-6-2-4-8-20(17)26-23(19)28/h2-14H,1H3,(H,26,28)

InChI Key

RMRBKEPUWFWWNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01417757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.91

Polar Surface Area

49.838

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

4649-0119 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 4649-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4649-0119?
Check Price and Availability of 4649-0119, 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 4649-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4649-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4649-0119
  • 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 4649-0119 available by request