S846-0029 Screening compound: N-cyclohexyl-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide

S846-0029 Screening compound: N-cyclohexyl-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
S846-0029 Screening compound: N-cyclohexyl-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S846-0029
N-cyclohexyl-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide

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

S846-0029

Molecular Formula

C17H21N5O2 (C17 H21 N5 O2)

Compound Name

N-cyclohexyl-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide

IUPAC name

N-cyclohexyl-3-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]azetidine-1-carboxamide

SMILES

O=C(NC1CCCCC1)N(C1)CC1c1nc(-c2ccncc2)no1

InChI

InChI=1S/C17H21N5O2/c23-17(19-14-4-2-1-3-5-14)22-10-13(11-22)16-20-15(21-24-16)12-6-8-18-9-7-12/h6-9,13-14H,1-5,10-11H2,(H,19,23)

InChI Key

HHTSDRCOZBHSBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.143

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-2.96

Polar Surface Area

67.787

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

S846-0029 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S846-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S846-0029?
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What is the minimum amount of S846-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S846-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S846-0029
  • 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 S846-0029 available by request