D330-0014 Screening compound: 3-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-indol-2-one

D330-0014 Screening compound: 3-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-indol-2-one
D330-0014 Screening compound: 3-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D330-0014
3-[(5-bromo-2-methoxyphenyl)methyl]-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

D330-0014

Molecular Formula

C16H14BrNO2 (C16 H14 BrNO2)

Compound Name

3-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(5-bromo-2-methoxyphenyl)methyl]-23-dihydro-1H-indol-2-one

SMILES

COc(cc1)c(CC(c(cccc2)c2N2)C2=O)cc1Br

InChI

InChI=1S/C16H14BrNO2/c1-20-15-7-6-11(17)8-10(15)9-13-12-4-2-3-5-14(12)18-16(13)19/h2-8,13H,9H2,1H3,(H,18,19)/t13-/m0/s1

InChI Key

ULBQCHCCQSATGY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD13967378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-4.01

Polar Surface Area

32.841

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

D330-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D330-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D330-0014?
Check Price and Availability of D330-0014, 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 D330-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D330-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D330-0014
  • 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 D330-0014 available by request