8190-0238 Screening compound: 3-[(2-carboxy-1H-indol-3-yl)(3-hydroxyphenyl)methyl]-1H-indole-2-carboxylic acid

8190-0238 Screening compound: 3-[(2-carboxy-1H-indol-3-yl)(3-hydroxyphenyl)methyl]-1H-indole-2-carboxylic acid
8190-0238 Screening compound: 3-[(2-carboxy-1H-indol-3-yl)(3-hydroxyphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8190-0238
3-[(2-carboxy-1H-indol-3-yl)(3-hydroxyphenyl)methyl]-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

8190-0238

Molecular Formula

C25H18N2O5 (C25 H18 N2 O5)

Compound Name

3-[(2-carboxy-1H-indol-3-yl)(3-hydroxyphenyl)methyl]-1H-indole-2-carboxylic acid

IUPAC name

3-[(2-carboxy-1H-indol-3-yl)(3-hydroxyphenyl)methyl]-1H-indole-2-carboxylic acid

SMILES

OC(c1c(C(c2c(C(O)=O)[nH]c3c2cccc3)c2cc(O)ccc2)c(cccc2)c2[nH]1)=O

InChI

InChI=1S/C25H18N2O5/c28-14-7-5-6-13(12-14)19(20-15-8-1-3-10-17(15)26-22(20)24(29)30)21-16-9-2-4-11-18(16)27-23(21)25(31)32/h1-12,19,26-28H,(H,29,30)(H,31,32)

InChI Key

JLZGMQJBFXILEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13967357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.473

Distribution Coefficient, logD

0.399

Water Solubility, LogSw

-3.60

Polar Surface Area

94.368

Acid Dissociation Constant (pKa)

4.33

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8190-0238 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Autophagy-Targeted Library (4564 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8190-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8190-0238?
Check Price and Availability of 8190-0238, 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 8190-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8190-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8190-0238
  • 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 8190-0238 available by request