C301-4461F Screening compound: 1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}azepane

C301-4461F Screening compound: 1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}azepane
C301-4461F Screening compound: 1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4461F
1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}azepane

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

C301-4461F

Molecular Formula

C15H18ClN3O (C15 H18 ClN3 O)

Compound Name

1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}azepane

IUPAC name

1-{[5-(2-chlorophenyl)-134-oxadiazol-2-yl]methyl}azepane

SMILES

Clc(cccc1)c1-c1nnc(CN2CCCCCC2)o1

InChI

InChI=1S/C15H18ClN3O/c16-13-8-4-3-7-12(13)15-18-17-14(20-15)11-19-9-5-1-2-6-10-19/h3-4,7-8H,1-2,5-6,9-11H2

InChI Key

NHPMZWMNQVTVIZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.060

Water Solubility, LogSw

-3.77

Polar Surface Area

34.483

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with C301-4461F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4461F?
Check Price and Availability of C301-4461F, 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 C301-4461F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4461F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4461F
  • 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 C301-4461F available by request