C301-4317 Screening compound: ethyl 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-piperidinecarboxylate

C301-4317 Screening compound: ethyl 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-piperidinecarboxylate
C301-4317 Screening compound: ethyl 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4317
ethyl 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-piperidinecarboxylate

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

C301-4317

Molecular Formula

C17H20BrN3O3 (C17 H20 BrN3 O3)

Compound Name

ethyl 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-piperidinecarboxylate

IUPAC name

ethyl 1-{[5-(3-bromophenyl)-134-oxadiazol-2-yl]methyl}piperidine-4-carboxylate

SMILES

CCOC(C1CCN(Cc2nnc(-c3cccc(Br)c3)o2)CC1)=O

InChI

InChI=1S/C17H20BrN3O3/c1-2-23-17(22)12-6-8-21(9-7-12)11-15-19-20-16(24-15)13-4-3-5-14(18)10-13/h3-5,10,12H,2,6-9,11H2,1H3

InChI Key

WEEQGDUWNXZQNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.001

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-3.02

Polar Surface Area

54.906

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

C301-4317 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C301-4317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4317?
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What is the minimum amount of C301-4317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4317
  • 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 C301-4317 available by request