5830-0668 Screening compound: 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one

5830-0668 Screening compound: 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
5830-0668 Screening compound: 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5830-0668
2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-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

5830-0668

Molecular Formula

C17H16BrNO2 (C17 H16 BrNO2)

Compound Name

2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one

IUPAC name

2-(4-bromo-2-methylphenoxy)-1-(23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

Cc(cc(cc1)Br)c1OCC(N(CC1)c2c1cccc2)=O

InChI

InChI=1S/C17H16BrNO2/c1-12-10-14(18)6-7-16(12)21-11-17(20)19-9-8-13-4-2-3-5-15(13)19/h2-7,10H,8-9,11H2,1H3

InChI Key

ZDGWFSYJFZKSNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03168509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

4.386

Water Solubility, LogSw

-4.38

Polar Surface Area

22.976

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5830-0668 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5830-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5830-0668?
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What is the minimum amount of 5830-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5830-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5830-0668
  • 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 5830-0668 available by request