S968-0605 Screening compound: N-[6-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide

S968-0605 Screening compound: N-[6-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide
S968-0605 Screening compound: N-[6-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0605
N-[6-(1,3-dimethyl-1H-pyrazole-5-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

S968-0605

Molecular Formula

C14H22N4O3S (C14 H22 N4 O3 S)

Compound Name

N-[6-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide

IUPAC name

N-[6-(13-dimethyl-1H-pyrazole-5-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide

SMILES

Cc1nn(C)c(C(N(CC2)CCC2(C2)C2NS(C)(=O)=O)=O)c1

InChI

InChI=1S/C14H22N4O3S/c1-10-8-11(17(2)15-10)13(19)18-6-4-14(5-7-18)9-12(14)16-22(3,20)21/h8,12,16H,4-7,9H2,1-3H3/t12-/m0/s1

InChI Key

PKXWICKIRSTKEM-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD32231813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.662

Distribution Coefficient, logD

-0.662

Water Solubility, LogSw

-1.89

Polar Surface Area

73.573

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

S968-0605 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 S968-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0605?
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What is the minimum amount of S968-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0605
  • 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 S968-0605 available by request