1222-0007 Screening compound: (2Z)-3-(4-hexylphenyl)but-2-enoic acid

1222-0007 Screening compound: (2Z)-3-(4-hexylphenyl)but-2-enoic acid
1222-0007 Screening compound: (2Z)-3-(4-hexylphenyl)but-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0007
(2Z)-3-(4-hexylphenyl)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

1222-0007

Molecular Formula

C16H22O2 (C16 H22 O2)

Compound Name

(2Z)-3-(4-hexylphenyl)but-2-enoic acid

IUPAC name

(2Z)-3-(4-hexylphenyl)but-2-enoic acid

SMILES

CCCCCCc(cc1)ccc1/C(/C)=C\C(O)=O

InChI

InChI=1S/C16H22O2/c1-3-4-5-6-7-14-8-10-15(11-9-14)13(2)12-16(17)18/h8-12H,3-7H2,1-2H3,(H,17,18)

InChI Key

LSWGXOOSIAEHBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.147

Distribution Coefficient, logD

1.979

Water Solubility, LogSw

-4.74

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

43.80

1222-0007 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 1222-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0007?
Check Price and Availability of 1222-0007, 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 1222-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0007
  • 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 1222-0007 available by request