8018-3971 Screening compound: 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid

8018-3971 Screening compound: 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid
8018-3971 Screening compound: 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3971
4H,5H-naphtho[1,2-b]thiophene-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

8018-3971

Molecular Formula

C13H10O2S (C13 H10 O2 S)

Compound Name

4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid

IUPAC name

4H5H-naphtho[12-b]thiophene-2-carboxylic acid

SMILES

OC(c1cc(CCc2c-3cccc2)c3s1)=O

InChI

InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15)

InChI Key

IGBRCZHGFVMFCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01569125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

-0.891

Water Solubility, LogSw

-3.56

Polar Surface Area

29.314

Acid Dissociation Constant (pKa)

2.99

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8018-3971 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-3971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3971?
Check Price and Availability of 8018-3971, 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 8018-3971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3971
  • 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 8018-3971 available by request