4649-0257 Screening compound: 3-(4-methoxyphenyl)-2-{[(3Z)-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-3,4-dihydroquinazolin-4-one

4649-0257 Screening compound: 3-(4-methoxyphenyl)-2-{[(3Z)-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-3,4-dihydroquinazolin-4-one
4649-0257 Screening compound: 3-(4-methoxyphenyl)-2-{[(3Z)-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4649-0257
3-(4-methoxyphenyl)-2-{[(3Z)-2-oxo-1-propyl-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

4649-0257

Molecular Formula

C27H23N3O3 (C27 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCN(c(cccc1)c1/C1=C/C(N2c(cc3)ccc3OC)=Nc(cccc3)c3C2=O)C1=O

InChI

InChI=1S/C27H23N3O3/c1-3-16-29-24-11-7-5-8-20(24)22(26(29)31)17-25-28-23-10-6-4-9-21(23)27(32)30(25)18-12-14-19(33-2)15-13-18/h4-15,17H,3,16H2,1-2H3

InChI Key

BEXFMTROQQMDSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01046990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.937

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-4.09

Polar Surface Area

47.857

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

4649-0257 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 4649-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4649-0257?
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What is the minimum amount of 4649-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4649-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4649-0257
  • 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 4649-0257 available by request