4340-1678 Screening compound: 1-benzyl-5-bromo-3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2,3-dihydro-1H-indol-2-one

4340-1678 Screening compound: 1-benzyl-5-bromo-3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2,3-dihydro-1H-indol-2-one
4340-1678 Screening compound: 1-benzyl-5-bromo-3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-1678
1-benzyl-5-bromo-3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2,3-dihydro-1H-indol-2-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

4340-1678

Molecular Formula

C22H18BrN3O3S (C22 H18 BrN3 O3 S)

Compound Name

1-benzyl-5-bromo-3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

1-benzyl-5-bromo-3-[(5Z)-2-(morpholin-4-yl)-4-oxo-45-dihydro-13-thiazol-5-ylidene]-23-dihydro-1H-indol-2-one

SMILES

O=C1N(Cc2ccccc2)c(ccc(Br)c2)c2/C1=C1/SC(N2CCOCC2)=NC1=O

InChI

InChI=1S/C22H18BrN3O3S/c23-15-6-7-17-16(12-15)18(21(28)26(17)13-14-4-2-1-3-5-14)19-20(27)24-22(30-19)25-8-10-29-11-9-25/h1-7,12H,8-11,13H2

InChI Key

OPBLYRURJLONOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02991023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.839

Distribution Coefficient, logD

3.839

Water Solubility, LogSw

-3.98

Polar Surface Area

48.972

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

4340-1678 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4340-1678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-1678?
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What is the minimum amount of 4340-1678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-1678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-1678
  • 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 4340-1678 available by request