3161-0302 Screening compound: 1-benzyl-5-bromo-2,3-dihydro-1H-indole-2,3-dione

3161-0302 Screening compound: 1-benzyl-5-bromo-2,3-dihydro-1H-indole-2,3-dione
3161-0302 Screening compound: 1-benzyl-5-bromo-2,3-dihydro-1H-indole-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3161-0302
1-benzyl-5-bromo-2,3-dihydro-1H-indole-2,3-dione

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

3161-0302

Molecular Formula

C15H10BrNO2 (C15 H10 BrNO2)

Compound Name

1-benzyl-5-bromo-2,3-dihydro-1H-indole-2,3-dione

IUPAC name

1-benzyl-5-bromo-23-dihydro-1H-indole-23-dione

SMILES

O=C(c(cc(cc1)Br)c1N1Cc2ccccc2)C1=O

InChI

InChI=1S/C15H10BrNO2/c16-11-6-7-13-12(8-11)14(18)15(19)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2

InChI Key

GGXZCVYJRFSCPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00811730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.612

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-3.90

Polar Surface Area

28.854

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

3161-0302 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3161-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3161-0302?
Check Price and Availability of 3161-0302, 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 3161-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3161-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3161-0302
  • 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 3161-0302 available by request