SC85-0561 Screening compound: {4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}{(4S,5S)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]non-2-yl}methanone

SC85-0561 Screening compound: {4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}{(4S,5S)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]non-2-yl}methanone
SC85-0561 Screening compound: {4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}{(4S,5S)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]non-2-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC85-0561
{4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}{(4S,5S)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]non-2-yl}methanone

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

SC85-0561

Molecular Formula

C24H29FN6O3 (C24 H29 FN6 O3)

Compound Name

{4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}{(4S,5S)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]non-2-yl}methanone

IUPAC name

({3-[(4S5S)-4-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-7-methyl-27-diazaspiro[4.4]nonane-2-carbonyl]-5-methyl-12-oxazol-4-yl}methyl)dimethylamine

SMILES

Cc1c(CN(C)C)c(C(N(C2)C[C@]3(CN(C)CC3)[C@@H]2c2nc(-c(cc3)ccc3F)no2)=O)no1

InChI

InChI=1S/C24H29FN6O3/c1-15-18(11-29(2)3)20(27-33-15)23(32)31-12-19(24(14-31)9-10-30(4)13-24)22-26-21(28-34-22)16-5-7-17(25)8-6-16/h5-8,19H,9-14H2,1-4H3/t19-,24-/m0/s1

InChI Key

ZAZZSMPAEFFVSC-CYFREDJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

-2.860

Water Solubility, LogSw

-2.54

Polar Surface Area

78.341

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

12.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SC85-0561 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC85-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC85-0561?
Check Price and Availability of SC85-0561, 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 SC85-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC85-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC85-0561
  • 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 SC85-0561 available by request