Y203-0025 Screening compound: methyl 5-(tert-butyl)-1-benzothiophene-2-carboxylate

Y203-0025 Screening compound: methyl 5-(tert-butyl)-1-benzothiophene-2-carboxylate
Y203-0025 Screening compound: methyl 5-(tert-butyl)-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y203-0025
methyl 5-(tert-butyl)-1-benzothiophene-2-carboxylate

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

Y203-0025

Molecular Formula

C14H16O2S (C14 H16 O2 S)

Compound Name

methyl 5-(tert-butyl)-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-tert-butyl-1-benzothiophene-2-carboxylate

SMILES

CC(C)(C)c(cc1)cc2c1sc(C(OC)=O)c2

InChI

InChI=1S/C14H16O2S/c1-14(2,3)10-5-6-11-9(7-10)8-12(17-11)13(15)16-4/h5-8H,1-4H3

InChI Key

WHQDVIGECHJKMV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.802

Water Solubility, LogSw

-4.97

Polar Surface Area

22.159

Acid Dissociation Constant (pKa)

30.10

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

Y203-0025 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y203-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y203-0025?
Check Price and Availability of Y203-0025, 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 Y203-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y203-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y203-0025
  • 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 Y203-0025 available by request