0630-0036 Screening compound: 2-(4-butoxyphenyl)-5-{4'-octyl-[1,1'-biphenyl]-4-yl}-1,3,4-oxadiazole

0630-0036 Screening compound: 2-(4-butoxyphenyl)-5-{4'-octyl-[1,1'-biphenyl]-4-yl}-1,3,4-oxadiazole
0630-0036 Screening compound: 2-(4-butoxyphenyl)-5-{4'-octyl-[1,1'-biphenyl]-4-yl}-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0630-0036
2-(4-butoxyphenyl)-5-{4'-octyl-[1,1'-biphenyl]-4-yl}-1,3,4-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

0630-0036

Molecular Formula

C32H38N2O2 (C32 H38 N2 O2)

Compound Name

2-(4-butoxyphenyl)-5-{4'-octyl-[1,1'-biphenyl]-4-yl}-1,3,4-oxadiazole

IUPAC name

2-(4-butoxyphenyl)-5-{4'-octyl-[11'-biphenyl]-4-yl}-134-oxadiazole

SMILES

CCCCCCCCc(cc1)ccc1-c(cc1)ccc1-c1nnc(-c(cc2)ccc2OCCCC)o1

InChI

InChI=1S/C32H38N2O2/c1-3-5-7-8-9-10-11-25-12-14-26(15-13-25)27-16-18-28(19-17-27)31-33-34-32(36-31)29-20-22-30(23-21-29)35-24-6-4-2/h12-23H,3-11,24H2,1-2H3

InChI Key

VQCKBEXDCNJUJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00642504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.67

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

10.730

Distribution Coefficient, logD

10.730

Water Solubility, LogSw

-5.86

Polar Surface Area

37.629

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

0630-0036 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0630-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0630-0036?
Check Price and Availability of 0630-0036, 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 0630-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0630-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0630-0036
  • 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 0630-0036 available by request