8017-1581 Screening compound: 3-(carboxymethyl)-1H-indole-2,5-dicarboxylic acid

8017-1581 Screening compound: 3-(carboxymethyl)-1H-indole-2,5-dicarboxylic acid
8017-1581 Screening compound: 3-(carboxymethyl)-1H-indole-2,5-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1581
3-(carboxymethyl)-1H-indole-2,5-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

8017-1581

Molecular Formula

C12H9NO6 (C12 H9 NO6)

Compound Name

3-(carboxymethyl)-1H-indole-2,5-dicarboxylic acid

IUPAC name

3-(carboxymethyl)-1H-indole-25-dicarboxylic acid

SMILES

OC(Cc1c(C(O)=O)[nH]c(cc2)c1cc2C(O)=O)=O

InChI

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

InChI Key

NIOZBYKVIVFYCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014544

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

0.759

Distribution Coefficient, logD

-2.758

Water Solubility, LogSw

-1.85

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

8017-1581 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with 8017-1581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1581?
Check Price and Availability of 8017-1581, 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 8017-1581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1581
  • 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 8017-1581 available by request