1222-0043 Screening compound: (2E)-3-(4-heptylphenyl)but-2-enoic acid

1222-0043 Screening compound: (2E)-3-(4-heptylphenyl)but-2-enoic acid
1222-0043 Screening compound: (2E)-3-(4-heptylphenyl)but-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0043
(2E)-3-(4-heptylphenyl)but-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

1222-0043

Molecular Formula

C17H24O2 (C17 H24 O2)

Compound Name

(2E)-3-(4-heptylphenyl)but-2-enoic acid

IUPAC name

(2E)-3-(4-heptylphenyl)but-2-enoic acid

SMILES

CCCCCCCc(cc1)ccc1/C(/C)=C/C(O)=O

InChI

InChI=1S/C17H24O2/c1-3-4-5-6-7-8-15-9-11-16(12-10-15)14(2)13-17(18)19/h9-13H,3-8H2,1-2H3,(H,18,19)

InChI Key

NDKSRUPCDJRIFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.642

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-5.09

Polar Surface Area

28.622

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

1222-0043 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1222-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0043?
Check Price and Availability of 1222-0043, 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 1222-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0043
  • 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 1222-0043 available by request