SC85-0537 Screening compound: 5-{(4S,5S)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]non-4-yl}-3-(4-fluorophenyl)-1,2,4-oxadiazole

SC85-0537 Screening compound: 5-{(4S,5S)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]non-4-yl}-3-(4-fluorophenyl)-1,2,4-oxadiazole
SC85-0537 Screening compound: 5-{(4S,5S)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]non-4-yl}-3-(4-fluorophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC85-0537
5-{(4S,5S)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]non-4-yl}-3-(4-fluorophenyl)-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

SC85-0537

Molecular Formula

C24H31FN6O (C24 H31 FN6 O)

Compound Name

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

IUPAC name

(4S5S)-2-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-7-methyl-27-diazaspiro[4.4]nonane

SMILES

CCn1nc(C)c(CN(C2)C[C@]3(CN(C)CC3)[C@@H]2c2nc(-c(cc3)ccc3F)no2)c1C

InChI

InChI=1S/C24H31FN6O/c1-5-31-17(3)20(16(2)27-31)12-30-13-21(24(15-30)10-11-29(4)14-24)23-26-22(28-32-23)18-6-8-19(25)9-7-18/h6-9,21H,5,10-15H2,1-4H3/t21-,24-/m0/s1

InChI Key

XYKADRSSRCGXKI-URXFXBBRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.232

Distribution Coefficient, logD

-3.246

Water Solubility, LogSw

-3.20

Polar Surface Area

53.584

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

13.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.17

SC85-0537 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 SC85-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC85-0537?
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What is the minimum amount of SC85-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC85-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC85-0537
  • 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 SC85-0537 available by request