1252-1591 Screening compound: methyl 2-(1H-indol-3-yl)-2-oxoacetate

1252-1591 Screening compound: methyl 2-(1H-indol-3-yl)-2-oxoacetate
1252-1591 Screening compound: methyl 2-(1H-indol-3-yl)-2-oxoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1252-1591
methyl 2-(1H-indol-3-yl)-2-oxoacetate

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

1252-1591

Molecular Formula

C11H9NO3 (C11 H9 NO3)

Compound Name

methyl 2-(1H-indol-3-yl)-2-oxoacetate

IUPAC name

methyl 2-(1H-indol-3-yl)-2-oxoacetate

SMILES

COC(C(c1c[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C11H9NO3/c1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9/h2-6,12H,1H3

InChI Key

VFIJGAWYVXDYLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00047173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.066

Distribution Coefficient, logD

2.066

Water Solubility, LogSw

-2.71

Polar Surface Area

45.022

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1252-1591 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1252-1591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1252-1591?
Check Price and Availability of 1252-1591, 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 1252-1591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1252-1591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1252-1591
  • 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 1252-1591 available by request