SA44-0630 Screening compound: 1-{6-methyl-7-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-(thiophen-2-yl)ethan-1-one

SA44-0630 Screening compound: 1-{6-methyl-7-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-(thiophen-2-yl)ethan-1-one
SA44-0630 Screening compound: 1-{6-methyl-7-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA44-0630
1-{6-methyl-7-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-(thiophen-2-yl)ethan-1-one

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

SA44-0630

Molecular Formula

C20H26N4O3S (C20 H26 N4 O3 S)

Compound Name

1-{6-methyl-7-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-{6-methyl-7-[5-(oxan-4-yl)-134-oxadiazol-2-yl]-26-diazaspiro[3.4]octan-2-yl}-2-(thiophen-2-yl)ethan-1-one

SMILES

CN(CC(C1)(CN1C(Cc1cccs1)=O)C1)C1c1nnc(C2CCOCC2)o1

InChI

InChI=1S/C20H26N4O3S/c1-23-11-20(12-24(13-20)17(25)9-15-3-2-8-28-15)10-16(23)19-22-21-18(27-19)14-4-6-26-7-5-14/h2-3,8,14,16H,4-7,9-13H2,1H3/t16-/m1/s1

InChI Key

AZSYNTWCBLKPQO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32236925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.483

Distribution Coefficient, logD

-2.248

Water Solubility, LogSw

-2.18

Polar Surface Area

59.527

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

11.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

SA44-0630 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA44-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA44-0630?
Check Price and Availability of SA44-0630, 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 SA44-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA44-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA44-0630
  • 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 SA44-0630 available by request