3009-4156 Screening compound: methyl (2Z,4Z)-4-chloro-5-phenyl-2-[(4-propylcyclohexyl)formamido]penta-2,4-dienoate

3009-4156 Screening compound: methyl (2Z,4Z)-4-chloro-5-phenyl-2-[(4-propylcyclohexyl)formamido]penta-2,4-dienoate
3009-4156 Screening compound: methyl (2Z,4Z)-4-chloro-5-phenyl-2-[(4-propylcyclohexyl)formamido]penta-2,4-dienoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3009-4156
methyl (2Z,4Z)-4-chloro-5-phenyl-2-[(4-propylcyclohexyl)formamido]penta-2,4-dienoate

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

3009-4156

Molecular Formula

C22H28ClNO3 (C22 H28 ClNO3)

Compound Name

methyl (2Z,4Z)-4-chloro-5-phenyl-2-[(4-propylcyclohexyl)formamido]penta-2,4-dienoate

IUPAC name

methyl (2Z4Z)-4-chloro-5-phenyl-2-[(4-propylcyclohexyl)formamido]penta-24-dienoate

SMILES

CCCC(CC1)CCC1C(N/C(/C(OC)=O)=C\C(\Cl)=C\c1ccccc1)=O

InChI

InChI=1S/C22H28ClNO3/c1-3-7-16-10-12-18(13-11-16)21(25)24-20(22(26)27-2)15-19(23)14-17-8-5-4-6-9-17/h4-6,8-9,14-16,18H,3,7,10-13H2,1-2H3,(H,24,25)

InChI Key

FDFPKJGCOHBENQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.051

Distribution Coefficient, logD

5.572

Water Solubility, LogSw

-6.22

Polar Surface Area

43.529

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

3009-4156 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3009-4156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3009-4156?
Check Price and Availability of 3009-4156, 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 3009-4156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3009-4156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3009-4156
  • 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 3009-4156 available by request