1077-0012 Screening compound: 5-(4-butylphenyl)-3-[4'-(hexyloxy)-[1,1'-biphenyl]-4-yl]-1,2,4-oxadiazole

1077-0012 Screening compound: 5-(4-butylphenyl)-3-[4'-(hexyloxy)-[1,1'-biphenyl]-4-yl]-1,2,4-oxadiazole
1077-0012 Screening compound: 5-(4-butylphenyl)-3-[4'-(hexyloxy)-[1,1'-biphenyl]-4-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1077-0012
5-(4-butylphenyl)-3-[4'-(hexyloxy)-[1,1'-biphenyl]-4-yl]-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

1077-0012

Molecular Formula

C30H34N2O2 (C30 H34 N2 O2)

Compound Name

5-(4-butylphenyl)-3-[4'-(hexyloxy)-[1,1'-biphenyl]-4-yl]-1,2,4-oxadiazole

IUPAC name

5-(4-butylphenyl)-3-[4'-(hexyloxy)-[11'-biphenyl]-4-yl]-124-oxadiazole

SMILES

CCCCCCOc(cc1)ccc1-c(cc1)ccc1-c1noc(-c2ccc(CCCC)cc2)n1

InChI

InChI=1S/C30H34N2O2/c1-3-5-7-8-22-33-28-20-18-25(19-21-28)24-14-16-26(17-15-24)29-31-30(34-32-29)27-12-10-23(11-13-27)9-6-4-2/h10-21H,3-9,22H2,1-2H3

InChI Key

MPJIOTFBDFZDJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00622238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

10.483

Distribution Coefficient, logD

10.483

Water Solubility, LogSw

-5.94

Polar Surface Area

38.790

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1077-0012 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 1077-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1077-0012?
Check Price and Availability of 1077-0012, 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 1077-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1077-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1077-0012
  • 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 1077-0012 available by request