SC85-0874 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-1-{(4S,5S)-7-methyl-4-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl}-1-propanone

SC85-0874 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-1-{(4S,5S)-7-methyl-4-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl}-1-propanone
SC85-0874 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-1-{(4S,5S)-7-methyl-4-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC85-0874
3-(3,5-dimethyl-4-isoxazolyl)-1-{(4S,5S)-7-methyl-4-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl}-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

SC85-0874

Molecular Formula

C22H27N7O3 (C22 H27 N7 O3)

Compound Name

3-(3,5-dimethyl-4-isoxazolyl)-1-{(4S,5S)-7-methyl-4-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl}-1-propanone

IUPAC name

3-(35-dimethyl-12-oxazol-4-yl)-1-[(4S5S)-7-methyl-4-[3-(pyrazin-2-yl)-124-oxadiazol-5-yl]-27-diazaspiro[4.4]nonan-2-yl]propan-1-one

SMILES

Cc1noc(C)c1CCC(N(C1)C[C@]2(CN(C)CC2)[C@@H]1c1nc(-c2nccnc2)no1)=O

InChI

InChI=1S/C22H27N7O3/c1-14-16(15(2)31-26-14)4-5-19(30)29-11-17(22(13-29)6-9-28(3)12-22)21-25-20(27-32-21)18-10-23-7-8-24-18/h7-8,10,17H,4-6,9,11-13H2,1-3H3/t17-,22+/m1/s1

InChI Key

GANKEQYEGFCJIR-VGSWGCGISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.974

Distribution Coefficient, logD

-2.406

Water Solubility, LogSw

-1.29

Polar Surface Area

92.298

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

10.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.54

SC85-0874 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC85-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC85-0874?
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What is the minimum amount of SC85-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC85-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC85-0874
  • 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 SC85-0874 available by request