S968-0243 Screening compound: 2-methyl-N-{6-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-6-azaspiro[2.5]octan-1-yl}propanamide

S968-0243 Screening compound: 2-methyl-N-{6-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-6-azaspiro[2.5]octan-1-yl}propanamide
S968-0243 Screening compound: 2-methyl-N-{6-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-6-azaspiro[2.5]octan-1-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0243
2-methyl-N-{6-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-6-azaspiro[2.5]octan-1-yl}propanamide

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

S968-0243

Molecular Formula

C15H24N4O3S (C15 H24 N4 O3 S)

Compound Name

2-methyl-N-{6-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-6-azaspiro[2.5]octan-1-yl}propanamide

IUPAC name

2-methyl-N-{6-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-6-azaspiro[2.5]octan-1-yl}propanamide

SMILES

CC(C)C(NC(C1)C1(CC1)CCN1S(c1cn(C)cn1)(=O)=O)=O

InChI

InChI=1S/C15H24N4O3S/c1-11(2)14(20)17-12-8-15(12)4-6-19(7-5-15)23(21,22)13-9-18(3)10-16-13/h9-12H,4-8H2,1-3H3,(H,17,20)/t12-/m1/s1

InChI Key

ZMEHJOBJIXGGNE-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD32232034

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

0.463

Distribution Coefficient, logD

0.463

Water Solubility, LogSw

-2.12

Polar Surface Area

69.220

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

S968-0243 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S968-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0243?
Check Price and Availability of S968-0243, 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 S968-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0243
  • 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 S968-0243 available by request