0258-0047 Screening compound: 2,4-dichlorophenyl 4-(4-propylcyclohexyl)benzoate

0258-0047 Screening compound: 2,4-dichlorophenyl 4-(4-propylcyclohexyl)benzoate
0258-0047 Screening compound: 2,4-dichlorophenyl 4-(4-propylcyclohexyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0258-0047
2,4-dichlorophenyl 4-(4-propylcyclohexyl)benzoate

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

0258-0047

Molecular Formula

C22H24Cl2O2 (C22 H24 Cl2 O2)

Compound Name

2,4-dichlorophenyl 4-(4-propylcyclohexyl)benzoate

IUPAC name

24-dichlorophenyl 4-(4-propylcyclohexyl)benzoate

SMILES

CCCC(CC1)CCC1c(cc1)ccc1C(Oc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C22H24Cl2O2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(25)26-21-13-12-19(23)14-20(21)24/h8-16H,2-7H2,1H3

InChI Key

IKKPUKSMLHPNTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00984835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

8.063

Distribution Coefficient, logD

8.063

Water Solubility, LogSw

-6.65

Polar Surface Area

20.623

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

0258-0047 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 0258-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0258-0047?
Check Price and Availability of 0258-0047, 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 0258-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0258-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0258-0047
  • 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 0258-0047 available by request