0411-0043 Screening compound: 3-[4-(heptyloxy)phenyl]-5-[4-(4-pentylcyclohexyl)phenyl]-1,2,4-oxadiazole

0411-0043 Screening compound: 3-[4-(heptyloxy)phenyl]-5-[4-(4-pentylcyclohexyl)phenyl]-1,2,4-oxadiazole
0411-0043 Screening compound: 3-[4-(heptyloxy)phenyl]-5-[4-(4-pentylcyclohexyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0411-0043
3-[4-(heptyloxy)phenyl]-5-[4-(4-pentylcyclohexyl)phenyl]-1,2,4-oxadiazole

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

0411-0043

Molecular Formula

C32H44N2O2 (C32 H44 N2 O2)

Compound Name

3-[4-(heptyloxy)phenyl]-5-[4-(4-pentylcyclohexyl)phenyl]-1,2,4-oxadiazole

IUPAC name

3-[4-(heptyloxy)phenyl]-5-[4-(4-pentylcyclohexyl)phenyl]-124-oxadiazole

SMILES

CCCCCCCOc(cc1)ccc1-c1noc(-c2ccc(C3CCC(CCCCC)CC3)cc2)n1

InChI

InChI=1S/C32H44N2O2/c1-3-5-7-8-10-24-35-30-22-20-28(21-23-30)31-33-32(36-34-31)29-18-16-27(17-19-29)26-14-12-25(13-15-26)11-9-6-4-2/h16-23,25-26H,3-15,24H2,1-2H3

InChI Key

YAXRCLAUDDKJFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00635520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

12.040

Distribution Coefficient, logD

12.040

Water Solubility, LogSw

-6.02

Polar Surface Area

38.983

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

-5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

0411-0043 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0411-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0411-0043?
Check Price and Availability of 0411-0043, 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 0411-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0411-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0411-0043
  • 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 0411-0043 available by request