SC85-0052 Screening compound: (2,4-dimethylphenyl){(4S,5S)-7-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl}methanone

SC85-0052 Screening compound: (2,4-dimethylphenyl){(4S,5S)-7-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl}methanone
SC85-0052 Screening compound: (2,4-dimethylphenyl){(4S,5S)-7-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,7-diazaspiro[4.4]non-2-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC85-0052
(2,4-dimethylphenyl){(4S,5S)-7-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-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

SC85-0052

Molecular Formula

C26H30N4O2 (C26 H30 N4 O2)

Compound Name

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

IUPAC name

(4S5S)-2-(24-dimethylbenzoyl)-7-methyl-4-[3-(3-methylphenyl)-124-oxadiazol-5-yl]-27-diazaspiro[4.4]nonane

SMILES

Cc1cccc(-c2noc([C@H](C3)[C@@]4(CN(C)CC4)CN3C(c3c(C)cc(C)cc3)=O)n2)c1

InChI

InChI=1S/C26H30N4O2/c1-17-6-5-7-20(13-17)23-27-24(32-28-23)22-14-30(16-26(22)10-11-29(4)15-26)25(31)21-9-8-18(2)12-19(21)3/h5-9,12-13,22H,10-11,14-16H2,1-4H3/t22-,26+/m1/s1

InChI Key

PDTRUALLJCLECW-GJZUVCINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

1.658

Water Solubility, LogSw

-4.53

Polar Surface Area

52.222

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

10.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.31

References: we are preparing a list of scientific research reports with SC85-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC85-0052?
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What is the minimum amount of SC85-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC85-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC85-0052
  • 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 SC85-0052 available by request