SB57-1044 Screening compound: 5-(6-benzyl-2-tetrahydro-2H-pyran-4-yl-2,6-diazaspiro[3.4]oct-8-yl)-3-methyl-1,2,4-oxadiazole

SB57-1044 Screening compound: 5-(6-benzyl-2-tetrahydro-2H-pyran-4-yl-2,6-diazaspiro[3.4]oct-8-yl)-3-methyl-1,2,4-oxadiazole
SB57-1044 Screening compound: 5-(6-benzyl-2-tetrahydro-2H-pyran-4-yl-2,6-diazaspiro[3.4]oct-8-yl)-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB57-1044
5-(6-benzyl-2-tetrahydro-2H-pyran-4-yl-2,6-diazaspiro[3.4]oct-8-yl)-3-methyl-1,2,4-oxadiazole

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

SB57-1044

Molecular Formula

C21H28N4O2 (C21 H28 N4 O2)

Compound Name

5-(6-benzyl-2-tetrahydro-2H-pyran-4-yl-2,6-diazaspiro[3.4]oct-8-yl)-3-methyl-1,2,4-oxadiazole

IUPAC name

6-benzyl-8-(3-methyl-124-oxadiazol-5-yl)-2-(oxan-4-yl)-26-diazaspiro[3.4]octane

SMILES

Cc1noc(C2C(C3)(CN3C3CCOCC3)CN(Cc3ccccc3)C2)n1

InChI

InChI=1S/C21H28N4O2/c1-16-22-20(27-23-16)19-12-24(11-17-5-3-2-4-6-17)13-21(19)14-25(15-21)18-7-9-26-10-8-18/h2-6,18-19H,7-15H2,1H3/t19-/m1/s1

InChI Key

NMCVWRJJKOUTNJ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32248642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

-2.369

Water Solubility, LogSw

-2.07

Polar Surface Area

46.614

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

11.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SB57-1044 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB57-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB57-1044?
Check Price and Availability of SB57-1044, 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 SB57-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB57-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB57-1044
  • 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 SB57-1044 available by request