1961-0002 Screening compound: 2-(2-chlorophenyl)-5-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,3,4-oxadiazole

1961-0002 Screening compound: 2-(2-chlorophenyl)-5-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,3,4-oxadiazole
1961-0002 Screening compound: 2-(2-chlorophenyl)-5-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1961-0002
2-(2-chlorophenyl)-5-{4'-pentyl-[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

1961-0002

Molecular Formula

C25H23ClN2O (C25 H23 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCCc(cc1)ccc1-c(cc1)ccc1-c1nnc(-c(cccc2)c2Cl)o1

InChI

InChI=1S/C25H23ClN2O/c1-2-3-4-7-18-10-12-19(13-11-18)20-14-16-21(17-15-20)24-27-28-25(29-24)22-8-5-6-9-23(22)26/h5-6,8-17H,2-4,7H2,1H3

InChI Key

SEGNASXFVSHZBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.92

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

8.128

Distribution Coefficient, logD

8.128

Water Solubility, LogSw

-6.50

Polar Surface Area

30.211

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 1961-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1961-0002?
Check Price and Availability of 1961-0002, 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 1961-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1961-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1961-0002
  • 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 1961-0002 available by request