S940-0226 Screening compound: N-[(furan-2-yl)methyl]-3-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}azetidine-1-carboxamide

S940-0226 Screening compound: N-[(furan-2-yl)methyl]-3-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}azetidine-1-carboxamide
S940-0226 Screening compound: N-[(furan-2-yl)methyl]-3-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}azetidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S940-0226
N-[(furan-2-yl)methyl]-3-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}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

S940-0226

Molecular Formula

C17H17N5O3 (C17 H17 N5 O3)

Compound Name

N-[(furan-2-yl)methyl]-3-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}azetidine-1-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-3-{[3-(pyridin-3-yl)-124-oxadiazol-5-yl]methyl}azetidine-1-carboxamide

SMILES

O=C(NCc1ccco1)N1CC(Cc2nc(-c3cnccc3)no2)C1

InChI

InChI=1S/C17H17N5O3/c23-17(19-9-14-4-2-6-24-14)22-10-12(11-22)7-15-20-16(21-25-15)13-3-1-5-18-8-13/h1-6,8,12H,7,9-11H2,(H,19,23)

InChI Key

RLSINXGUMIUCRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32000363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

1.458

Water Solubility, LogSw

-2.21

Polar Surface Area

75.566

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

S940-0226 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S940-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S940-0226?
Check Price and Availability of S940-0226, 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 S940-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S940-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S940-0226
  • 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 S940-0226 available by request