3161-0326 Screening compound: 1-butyl-2,3-dihydro-1H-indole-2,3-dione

3161-0326 Screening compound: 1-butyl-2,3-dihydro-1H-indole-2,3-dione
3161-0326 Screening compound: 1-butyl-2,3-dihydro-1H-indole-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3161-0326
1-butyl-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

3161-0326

Molecular Formula

C12H13NO2 (C12 H13 NO2)

Compound Name

1-butyl-2,3-dihydro-1H-indole-2,3-dione

IUPAC name

1-butyl-23-dihydro-1H-indole-23-dione

SMILES

CCCCN(c(cccc1)c1C1=O)C1=O

InChI

InChI=1S/C12H13NO2/c1-2-3-8-13-10-7-5-4-6-9(10)11(14)12(13)15/h4-7H,2-3,8H2,1H3

InChI Key

POEDHWVTLBLWDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00224221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.84

Polar Surface Area

29.103

Acid Dissociation Constant (pKa)

26.38

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3161-0326 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3161-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3161-0326?
Check Price and Availability of 3161-0326, 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 3161-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3161-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3161-0326
  • 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 3161-0326 available by request