S968-0539 Screening compound: N-[6-(thiophene-3-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide

S968-0539 Screening compound: N-[6-(thiophene-3-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide
S968-0539 Screening compound: N-[6-(thiophene-3-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0539
N-[6-(thiophene-3-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

S968-0539

Molecular Formula

C13H18N2O3S2 (C13 H18 N2 O3 S2)

Compound Name

N-[6-(thiophene-3-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide

IUPAC name

N-[6-(thiophene-3-carbonyl)-6-azaspiro[2.5]octan-1-yl]methanesulfonamide

SMILES

CS(NC(C1)C1(CC1)CCN1C(c1cscc1)=O)(=O)=O

InChI

InChI=1S/C13H18N2O3S2/c1-20(17,18)14-11-8-13(11)3-5-15(6-4-13)12(16)10-2-7-19-9-10/h2,7,9,11,14H,3-6,8H2,1H3/t11-/m0/s1

InChI Key

GFSMRPULJIXWIB-NSHDSACASA-N

MDL Number (MFCD)

MFCD32231421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.496

Distribution Coefficient, logD

0.496

Water Solubility, LogSw

-2.22

Polar Surface Area

61.269

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.54

S968-0539 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Arginase Targeted Library (2009 compounds)

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Nervous system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S968-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0539?
Check Price and Availability of S968-0539, 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 S968-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0539
  • 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 S968-0539 available by request