SC58-0085 Screening compound: 1-[6-benzyl-8-(5-methyl-1,3-oxazol-2-yl)-2,6-diazaspiro[3.4]oct-2-yl]-3-phenyl-1-propanone

SC58-0085 Screening compound: 1-[6-benzyl-8-(5-methyl-1,3-oxazol-2-yl)-2,6-diazaspiro[3.4]oct-2-yl]-3-phenyl-1-propanone
SC58-0085 Screening compound: 1-[6-benzyl-8-(5-methyl-1,3-oxazol-2-yl)-2,6-diazaspiro[3.4]oct-2-yl]-3-phenyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC58-0085
1-[6-benzyl-8-(5-methyl-1,3-oxazol-2-yl)-2,6-diazaspiro[3.4]oct-2-yl]-3-phenyl-1-propanone

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

SC58-0085

Molecular Formula

C26H29N3O2 (C26 H29 N3 O2)

Compound Name

1-[6-benzyl-8-(5-methyl-1,3-oxazol-2-yl)-2,6-diazaspiro[3.4]oct-2-yl]-3-phenyl-1-propanone

IUPAC name

1-[6-benzyl-8-(5-methyl-13-oxazol-2-yl)-26-diazaspiro[3.4]octan-2-yl]-3-phenylpropan-1-one

SMILES

Cc1cnc(C2C(C3)(CN3C(CCc3ccccc3)=O)CN(Cc3ccccc3)C2)o1

InChI

InChI=1S/C26H29N3O2/c1-20-14-27-25(31-20)23-16-28(15-22-10-6-3-7-11-22)17-26(23)18-29(19-26)24(30)13-12-21-8-4-2-5-9-21/h2-11,14,23H,12-13,15-19H2,1H3/t23-/m1/s1

InChI Key

BDIKMQYEKQEWOU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32258315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

0.462

Water Solubility, LogSw

-3.81

Polar Surface Area

37.396

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

10.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

SC58-0085 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC58-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC58-0085?
Check Price and Availability of SC58-0085, 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 SC58-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC58-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC58-0085
  • 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 SC58-0085 available by request