SC85-0587 Screening compound: 2-ethyl-1-{(4S,5S)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]non-2-yl}-1-butanone

SC85-0587 Screening compound: 2-ethyl-1-{(4S,5S)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]non-2-yl}-1-butanone
SC85-0587 Screening compound: 2-ethyl-1-{(4S,5S)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]non-2-yl}-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC85-0587
2-ethyl-1-{(4S,5S)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]non-2-yl}-1-butanone

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

SC85-0587

Molecular Formula

C22H29FN4O2 (C22 H29 FN4 O2)

Compound Name

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

IUPAC name

2-ethyl-1-[(4S5S)-4-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-7-methyl-27-diazaspiro[4.4]nonan-2-yl]butan-1-one

SMILES

CCC(CC)C(N(C1)C[C@]2(CN(C)CC2)[C@@H]1c1nc(-c(cc2)ccc2F)no1)=O

InChI

InChI=1S/C22H29FN4O2/c1-4-15(5-2)21(28)27-12-18(22(14-27)10-11-26(3)13-22)20-24-19(25-29-20)16-6-8-17(23)9-7-16/h6-9,15,18H,4-5,10-14H2,1-3H3/t18-,22-/m0/s1

InChI Key

QRLPQXAYLWEXIL-AVRDEDQJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.148

Distribution Coefficient, logD

0.768

Water Solubility, LogSw

-4.06

Polar Surface Area

52.493

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

10.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.09

SC85-0587 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC85-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC85-0587?
Check Price and Availability of SC85-0587, 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 SC85-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC85-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC85-0587
  • 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 SC85-0587 available by request