S212-1000 Screening compound: 3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

S212-1000 Screening compound: 3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide
S212-1000 Screening compound: 3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S212-1000
3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

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

S212-1000

Molecular Formula

C13H22N4O4 (C13 H22 N4 O4)

Compound Name

3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

3-{[3-(2-methoxyethyl)-124-oxadiazol-5-yl]methoxy}-N-methylpiperidine-1-carboxamide

SMILES

CNC(N(CCC1)CC1OCc1nc(CCOC)no1)=O

InChI

InChI=1S/C13H22N4O4/c1-14-13(18)17-6-3-4-10(8-17)20-9-12-15-11(16-21-12)5-7-19-2/h10H,3-9H2,1-2H3,(H,14,18)/t10-/m0/s1

InChI Key

HBVSVNBRHZXMQO-JTQLQIEISA-N

MDL Number (MFCD)

MFCD30468624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.227

Distribution Coefficient, logD

0.227

Water Solubility, LogSw

-0.94

Polar Surface Area

75.074

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.92

S212-1000 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S212-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S212-1000?
Check Price and Availability of S212-1000, 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 S212-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S212-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S212-1000
  • 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 S212-1000 available by request