S968-0595 Screening compound: N-[6-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide

S968-0595 Screening compound: N-[6-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide
S968-0595 Screening compound: N-[6-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0595
N-[6-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide

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

S968-0595

Molecular Formula

C15H24N4O3S (C15 H24 N4 O3 S)

Compound Name

N-[6-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide

IUPAC name

N-[6-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide

SMILES

CCn1ncc(C(N(CC2)CCC2(C2)C2NS(C)(=O)=O)=O)c1C

InChI

InChI=1S/C15H24N4O3S/c1-4-19-11(2)12(10-16-19)14(20)18-7-5-15(6-8-18)9-13(15)17-23(3,21)22/h10,13,17H,4-9H2,1-3H3/t13-/m0/s1

InChI Key

KUWMXINRZITUTM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32231745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.133

Distribution Coefficient, logD

-0.133

Water Solubility, LogSw

-1.95

Polar Surface Area

74.176

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

S968-0595 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S968-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0595?
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What is the minimum amount of S968-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0595
  • 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 S968-0595 available by request