4896-5177 Screening compound: (3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one

4896-5177 Screening compound: (3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
4896-5177 Screening compound: (3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-5177
(3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-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

4896-5177

Molecular Formula

C16H12BrNO (C16 H12 BrNO)

Compound Name

(3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

(3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-23-dihydro-1H-indol-2-one

SMILES

Cc1ccc(/C=C(/c(cc(cc2)Br)c2N2)\C2=O)cc1

InChI

InChI=1S/C16H12BrNO/c1-10-2-4-11(5-3-10)8-14-13-9-12(17)6-7-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)

InChI Key

FISOAGNIVQHXLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03080292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.18

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.587

Distribution Coefficient, logD

4.587

Water Solubility, LogSw

-4.37

Polar Surface Area

25.210

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4896-5177 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4896-5177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-5177?
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What is the minimum amount of 4896-5177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-5177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-5177
  • 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 4896-5177 available by request