8018-1130 Screening compound: 3-(carboxymethyl)-1H-indole-2,6-dicarboxylic acid

8018-1130 Screening compound: 3-(carboxymethyl)-1H-indole-2,6-dicarboxylic acid
8018-1130 Screening compound: 3-(carboxymethyl)-1H-indole-2,6-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1130
3-(carboxymethyl)-1H-indole-2,6-dicarboxylic 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

8018-1130

Molecular Formula

C12H9NO6 (C12 H9 NO6)

Compound Name

3-(carboxymethyl)-1H-indole-2,6-dicarboxylic acid

IUPAC name

3-(carboxymethyl)-1H-indole-26-dicarboxylic acid

SMILES

OC(Cc1c(C(O)=O)[nH]c2c1ccc(C(O)=O)c2)=O

InChI

InChI=1S/C12H9NO6/c14-9(15)4-7-6-2-1-5(11(16)17)3-8(6)13-10(7)12(18)19/h1-3,13H,4H2,(H,14,15)(H,16,17)(H,18,19)

InChI Key

LJYQKANSJTUTPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06245103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.940

Distribution Coefficient, logD

-2.577

Water Solubility, LogSw

-1.89

Polar Surface Area

95.558

Acid Dissociation Constant (pKa)

3.88

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8018-1130 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Cardiovascular Library (22201 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1130?
Check Price and Availability of 8018-1130, 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 8018-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1130
  • 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 8018-1130 available by request