0569-0088 Screening compound: 2-(4-butylcyclohexyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole

0569-0088 Screening compound: 2-(4-butylcyclohexyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
0569-0088 Screening compound: 2-(4-butylcyclohexyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0569-0088
2-(4-butylcyclohexyl)-5-(4-chlorophenyl)-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

0569-0088

Molecular Formula

C18H23ClN2O (C18 H23 ClN2 O)

Compound Name

2-(4-butylcyclohexyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole

IUPAC name

2-(4-butylcyclohexyl)-5-(4-chlorophenyl)-134-oxadiazole

SMILES

CCCCC(CC1)CCC1c1nnc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C18H23ClN2O/c1-2-3-4-13-5-7-14(8-6-13)17-20-21-18(22-17)15-9-11-16(19)12-10-15/h9-14H,2-8H2,1H3

InChI Key

VONKBLLPNOQHDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00635482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.411

Distribution Coefficient, logD

6.411

Water Solubility, LogSw

-6.68

Polar Surface Area

30.675

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

0569-0088 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0569-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0569-0088?
Check Price and Availability of 0569-0088, 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 0569-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0569-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0569-0088
  • 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 0569-0088 available by request