D058-0278 Screening compound: 3-(carboxymethyl)-1H-indole-2-carboxylic acid

D058-0278 Screening compound: 3-(carboxymethyl)-1H-indole-2-carboxylic acid
D058-0278 Screening compound: 3-(carboxymethyl)-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0278
3-(carboxymethyl)-1H-indole-2-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

D058-0278

Molecular Formula

C11H9NO4 (C11 H9 NO4)

Compound Name

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

IUPAC name

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

SMILES

OC(Cc1c(C(O)=O)[nH]c2c1cccc2)=O

InChI

InChI=1S/C11H9NO4/c13-9(14)5-7-6-3-1-2-4-8(6)12-10(7)11(15)16/h1-4,12H,5H2,(H,13,14)(H,15,16)

InChI Key

CRMJDDJAUJZUDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00897387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.2

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

0.660

Distribution Coefficient, logD

-2.858

Water Solubility, LogSw

-1.76

Polar Surface Area

67.150

Acid Dissociation Constant (pKa)

3.88

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D058-0278 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D058-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0278?
Check Price and Availability of D058-0278, 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 D058-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0278
  • 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 D058-0278 available by request