SA44-0654 Screening compound: 2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane

SA44-0654 Screening compound: 2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane
SA44-0654 Screening compound: 2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA44-0654
2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane

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

SA44-0654

Molecular Formula

C22H27FN4O3 (C22 H27 FN4 O3)

Compound Name

2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane

IUPAC name

2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[5-(oxan-4-yl)-134-oxadiazol-2-yl]-26-diazaspiro[3.4]octane

SMILES

Cc(ccc(C(N(C1)CC1(C1)CN(C)C1c1nnc(C2CCOCC2)o1)=O)c1)c1F

InChI

InChI=1S/C22H27FN4O3/c1-14-3-4-16(9-17(14)23)21(28)27-12-22(13-27)10-18(26(2)11-22)20-25-24-19(30-20)15-5-7-29-8-6-15/h3-4,9,15,18H,5-8,10-13H2,1-2H3/t18-/m1/s1

InChI Key

JRBHDYUZYBFMKD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32237020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.207

Distribution Coefficient, logD

-1.408

Water Solubility, LogSw

-2.66

Polar Surface Area

59.036

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

11.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SA44-0654 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA44-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA44-0654?
Check Price and Availability of SA44-0654, 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 SA44-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA44-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA44-0654
  • 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 SA44-0654 available by request