0074-0075 Screening compound: (2E)-3-(4-butoxyphenyl)prop-2-enoic acid

0074-0075 Screening compound: (2E)-3-(4-butoxyphenyl)prop-2-enoic acid
0074-0075 Screening compound: (2E)-3-(4-butoxyphenyl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0075
(2E)-3-(4-butoxyphenyl)prop-2-enoic 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

0074-0075

Molecular Formula

C13H16O3 (C13 H16 O3)

Compound Name

(2E)-3-(4-butoxyphenyl)prop-2-enoic acid

IUPAC name

(2E)-3-(4-butoxyphenyl)prop-2-enoic acid

SMILES

CCCCOc1ccc(/C=C/C(O)=O)cc1

InChI

InChI=1S/C13H16O3/c1-2-3-10-16-12-7-4-11(5-8-12)6-9-13(14)15/h4-9H,2-3,10H2,1H3,(H,14,15)

InChI Key

AAHNIBROSVVFRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00187257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

0.518

Water Solubility, LogSw

-3.73

Polar Surface Area

36.040

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

0074-0075 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0074-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0075?
Check Price and Availability of 0074-0075, 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 0074-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0075
  • 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 0074-0075 available by request