1725-0004 Screening compound: (E)-3-[5-(tert-butyl)-2-thienyl]-2-propenoic acid

1725-0004 Screening compound: (E)-3-[5-(tert-butyl)-2-thienyl]-2-propenoic acid
1725-0004 Screening compound: (E)-3-[5-(tert-butyl)-2-thienyl]-2-propenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1725-0004
(E)-3-[5-(tert-butyl)-2-thienyl]-2-propenoic 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

1725-0004

Molecular Formula

C11H14O2S (C11 H14 O2 S)

Compound Name

(E)-3-[5-(tert-butyl)-2-thienyl]-2-propenoic acid

IUPAC name

(2E)-3-(5-tert-butylthiophen-2-yl)prop-2-enoic acid

SMILES

CC(C)(C)c1ccc(/C=C/C(O)=O)s1

InChI

InChI=1S/C11H14O2S/c1-11(2,3)9-6-4-8(14-9)5-7-10(12)13/h4-7H,1-3H3,(H,12,13)

InChI Key

KCFFSJPREHZTIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01210992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

-0.475

Water Solubility, LogSw

-3.48

Polar Surface Area

29.641

Acid Dissociation Constant (pKa)

3.33

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

1725-0004 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1725-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1725-0004?
Check Price and Availability of 1725-0004, 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 1725-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1725-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1725-0004
  • 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 1725-0004 available by request