SB95-0313 Screening compound: N-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidyl}-N-(2-piperidinoethyl)methanesulfonamide

SB95-0313 Screening compound: N-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidyl}-N-(2-piperidinoethyl)methanesulfonamide
SB95-0313 Screening compound: N-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidyl}-N-(2-piperidinoethyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB95-0313
N-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidyl}-N-(2-piperidinoethyl)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

SB95-0313

Molecular Formula

C20H35N5O3S (C20 H35 N5 O3 S)

Compound Name

N-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidyl}-N-(2-piperidinoethyl)methanesulfonamide

IUPAC name

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

SMILES

Cc1cn(CCC(N(CCC2)CC2N(CCN2CCCCC2)S(C)(=O)=O)=O)nc1

InChI

InChI=1S/C20H35N5O3S/c1-18-15-21-24(16-18)12-8-20(26)23-11-6-7-19(17-23)25(29(2,27)28)14-13-22-9-4-3-5-10-22/h15-16,19H,3-14,17H2,1-2H3/t19-/m0/s1

InChI Key

HDEVZEXSWNBCPC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32251627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.566

Distribution Coefficient, logD

0.483

Water Solubility, LogSw

-1.43

Polar Surface Area

65.968

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

SB95-0313 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB95-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB95-0313?
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What is the minimum amount of SB95-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB95-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB95-0313
  • 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 SB95-0313 available by request