SB93-0096 Screening compound: N-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-piperidyl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

SB93-0096 Screening compound: N-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-piperidyl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide
SB93-0096 Screening compound: N-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-piperidyl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB93-0096
N-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-piperidyl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]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

SB93-0096

Molecular Formula

C20H32N6O3S (C20 H32 N6 O3 S)

Compound Name

N-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-piperidyl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

IUPAC name

N-{1-[3-(35-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-4-yl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]methanesulfonamide

SMILES

Cc1cc(C)nn1CCC(N(CC1)CCC1N(CCn1c(C)ncc1)S(C)(=O)=O)=O

InChI

InChI=1S/C20H32N6O3S/c1-16-15-17(2)25(22-16)11-7-20(27)24-9-5-19(6-10-24)26(30(4,28)29)14-13-23-12-8-21-18(23)3/h8,12,15,19H,5-7,9-11,13-14H2,1-4H3

InChI Key

NGNCXHMEBATGAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32250335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.414

Distribution Coefficient, logD

-1.313

Water Solubility, LogSw

-1.50

Polar Surface Area

73.818

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

SB93-0096 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB93-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB93-0096?
Check Price and Availability of SB93-0096, 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 SB93-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB93-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB93-0096
  • 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 SB93-0096 available by request