7162-0036 Screening compound: 3-(carboxymethyl)-2-methyl-1H-indole-5-carboxylic acid

7162-0036 Screening compound: 3-(carboxymethyl)-2-methyl-1H-indole-5-carboxylic acid
7162-0036 Screening compound: 3-(carboxymethyl)-2-methyl-1H-indole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7162-0036
3-(carboxymethyl)-2-methyl-1H-indole-5-carboxylic acid

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

7162-0036

Molecular Formula

C12H11NO4 (C12 H11 NO4)

Compound Name

3-(carboxymethyl)-2-methyl-1H-indole-5-carboxylic acid

IUPAC name

3-(carboxymethyl)-2-methyl-1H-indole-5-carboxylic acid

SMILES

Cc1c(CC(O)=O)c(cc(cc2)C(O)=O)c2[nH]1

InChI

InChI=1S/C12H11NO4/c1-6-8(5-11(14)15)9-4-7(12(16)17)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)(H,16,17)

InChI Key

WFDFYPLSWRHIPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02664401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.971

Distribution Coefficient, logD

-1.798

Water Solubility, LogSw

-2.42

Polar Surface Area

66.956

Acid Dissociation Constant (pKa)

3.63

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

7162-0036 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 7162-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7162-0036?
Check Price and Availability of 7162-0036, 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 7162-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7162-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7162-0036
  • 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 7162-0036 available by request