6540-0274 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one

6540-0274 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
6540-0274 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6540-0274
3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-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

6540-0274

Molecular Formula

C17H13NO5 (C17 H13 NO5)

Compound Name

3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[2-(2H-13-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-23-dihydro-1H-indol-2-one

SMILES

OC(CC(c(cc1)cc2c1OCO2)=O)(c(cccc1)c1N1)C1=O

InChI

InChI=1S/C17H13NO5/c19-13(10-5-6-14-15(7-10)23-9-22-14)8-17(21)11-3-1-2-4-12(11)18-16(17)20/h1-7,21H,8-9H2,(H,18,20)/t17-/m0/s1

InChI Key

KUJFUVKZMMYNDO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01429310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.869

Distribution Coefficient, logD

1.869

Water Solubility, LogSw

-2.74

Polar Surface Area

70.933

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

6540-0274 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Akt-Targeted Library (14764 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
  • Cancer
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6540-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6540-0274?
Check Price and Availability of 6540-0274, 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 6540-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6540-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6540-0274
  • 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 6540-0274 available by request