0413-0277 Screening compound: 1H,3H,4H,5H-thiopyrano[4,3-b]indole-8-carboxylic acid

0413-0277 Screening compound: 1H,3H,4H,5H-thiopyrano[4,3-b]indole-8-carboxylic acid
0413-0277 Screening compound: 1H,3H,4H,5H-thiopyrano[4,3-b]indole-8-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0413-0277
1H,3H,4H,5H-thiopyrano[4,3-b]indole-8-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

0413-0277

Molecular Formula

C12H11NO2S (C12 H11 NO2 S)

Compound Name

1H,3H,4H,5H-thiopyrano[4,3-b]indole-8-carboxylic acid

IUPAC name

1H3H4H5H-thiopyrano[43-b]indole-8-carboxylic acid

SMILES

OC(c(cc1)cc2c1[nH]c1c2CSCC1)=O

InChI

InChI=1S/C12H11NO2S/c14-12(15)7-1-2-10-8(5-7)9-6-16-4-3-11(9)13-10/h1-2,5,13H,3-4,6H2,(H,14,15)

InChI Key

KWLCAPKPQWXVPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00454218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

1.041

Water Solubility, LogSw

-2.86

Polar Surface Area

39.417

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0413-0277 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 0413-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0413-0277?
Check Price and Availability of 0413-0277, 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 0413-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0413-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0413-0277
  • 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 0413-0277 available by request