1077-0042 Screening compound: 3-benzyl-5-(4-pentylphenyl)-1,2,4-oxadiazole

1077-0042 Screening compound: 3-benzyl-5-(4-pentylphenyl)-1,2,4-oxadiazole
1077-0042 Screening compound: 3-benzyl-5-(4-pentylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1077-0042
3-benzyl-5-(4-pentylphenyl)-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

1077-0042

Molecular Formula

C20H22N2O (C20 H22 N2 O)

Compound Name

3-benzyl-5-(4-pentylphenyl)-1,2,4-oxadiazole

IUPAC name

3-benzyl-5-(4-pentylphenyl)-124-oxadiazole

SMILES

CCCCCc(cc1)ccc1-c1nc(Cc2ccccc2)no1

InChI

InChI=1S/C20H22N2O/c1-2-3-5-8-16-11-13-18(14-12-16)20-21-19(22-23-20)15-17-9-6-4-7-10-17/h4,6-7,9-14H,2-3,5,8,15H2,1H3

InChI Key

ODXUNIIXENMXEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00622280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.319

Distribution Coefficient, logD

6.319

Water Solubility, LogSw

-5.63

Polar Surface Area

32.635

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1077-0042 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1077-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1077-0042?
Check Price and Availability of 1077-0042, 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 1077-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1077-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1077-0042
  • 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 1077-0042 available by request