SC85-0566 Screening compound: 3-(4-fluorophenyl)-5-{(4S,5S)-7-methyl-2-[(3-methyl-2-thienyl)methyl]-2,7-diazaspiro[4.4]non-4-yl}-1,2,4-oxadiazole

SC85-0566 Screening compound: 3-(4-fluorophenyl)-5-{(4S,5S)-7-methyl-2-[(3-methyl-2-thienyl)methyl]-2,7-diazaspiro[4.4]non-4-yl}-1,2,4-oxadiazole
SC85-0566 Screening compound: 3-(4-fluorophenyl)-5-{(4S,5S)-7-methyl-2-[(3-methyl-2-thienyl)methyl]-2,7-diazaspiro[4.4]non-4-yl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC85-0566
3-(4-fluorophenyl)-5-{(4S,5S)-7-methyl-2-[(3-methyl-2-thienyl)methyl]-2,7-diazaspiro[4.4]non-4-yl}-1,2,4-oxadiazole

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

SC85-0566

Molecular Formula

C22H25FN4OS (C22 H25 FN4 OS)

Compound Name

3-(4-fluorophenyl)-5-{(4S,5S)-7-methyl-2-[(3-methyl-2-thienyl)methyl]-2,7-diazaspiro[4.4]non-4-yl}-1,2,4-oxadiazole

IUPAC name

(4S5S)-4-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-7-methyl-2-[(3-methylthiophen-2-yl)methyl]-27-diazaspiro[4.4]nonane

SMILES

Cc1c(CN(C2)C[C@]3(CN(C)CC3)[C@@H]2c2nc(-c(cc3)ccc3F)no2)scc1

InChI

InChI=1S/C22H25FN4OS/c1-15-7-10-29-19(15)12-27-11-18(22(14-27)8-9-26(2)13-22)21-24-20(25-28-21)16-3-5-17(23)6-4-16/h3-7,10,18H,8-9,11-14H2,1-2H3/t18-,22+/m1/s1

InChI Key

TYNINDHFSFOJIF-GCJKJVERSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

1.180

Water Solubility, LogSw

-4.18

Polar Surface Area

40.325

Acid Dissociation Constant (pKa)

27.31

Base Dissociation Constant (pKb)

10.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.46

SC85-0566 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC85-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC85-0566?
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What is the minimum amount of SC85-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC85-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC85-0566
  • 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 SC85-0566 available by request