6228-0620 Screening compound: methyl 5-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]furan-2-carboxylate

6228-0620 Screening compound: methyl 5-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]furan-2-carboxylate
6228-0620 Screening compound: methyl 5-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0620
methyl 5-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]furan-2-carboxylate

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

6228-0620

Molecular Formula

C15H11NO5 (C15 H11 NO5)

Compound Name

methyl 5-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]furan-2-carboxylate

IUPAC name

methyl 5-[(23-dioxo-23-dihydro-1H-indol-1-yl)methyl]furan-2-carboxylate

SMILES

COC(c1ccc(CN(c(cccc2)c2C2=O)C2=O)o1)=O

InChI

InChI=1S/C15H11NO5/c1-20-15(19)12-7-6-9(21-12)8-16-11-5-3-2-4-10(11)13(17)14(16)18/h2-7H,8H2,1H3

InChI Key

DNPNYOORKRCHCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02975820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.868

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-2.70

Polar Surface Area

57.869

Acid Dissociation Constant (pKa)

29.22

Base Dissociation Constant (pKb)

-4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6228-0620 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6228-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0620?
Check Price and Availability of 6228-0620, 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 6228-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0620
  • 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 6228-0620 available by request