5043-0017 Screening compound: ethyl 4-{2-[(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoate

5043-0017 Screening compound: ethyl 4-{2-[(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoate
5043-0017 Screening compound: ethyl 4-{2-[(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5043-0017
ethyl 4-{2-[(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoate

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

5043-0017

Molecular Formula

C26H18BrN3O4 (C26 H18 BrN3 O4)

Compound Name

ethyl 4-{2-[(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoate

IUPAC name

ethyl 4-{2-[(5-bromo-2-oxo-23-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-34-dihydroquinazolin-3-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(/C=C(\c(cc(cc1)Br)c1N1)/C1=O)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C26H18BrN3O4/c1-2-34-26(33)15-7-10-17(11-8-15)30-23(28-21-6-4-3-5-18(21)25(30)32)14-20-19-13-16(27)9-12-22(19)29-24(20)31/h3-14H,2H2,1H3,(H,29,31)

InChI Key

WKADECDLLMHBJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.547

Distribution Coefficient, logD

4.547

Water Solubility, LogSw

-4.30

Polar Surface Area

70.591

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

5043-0017 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 5043-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5043-0017?
Check Price and Availability of 5043-0017, 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 5043-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5043-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5043-0017
  • 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 5043-0017 available by request