SB91-0958 Screening compound: N-[2-(piperidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

SB91-0958 Screening compound: N-[2-(piperidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SB91-0958 Screening compound: N-[2-(piperidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0958
N-[2-(piperidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

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

SB91-0958

Molecular Formula

C21H33N3O2S (C21 H33 N3 O2 S)

Compound Name

N-[2-(piperidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

IUPAC name

N-[2-(piperidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)-5678-tetrahydronaphthalene-2-sulfonamide

SMILES

O=S(c1cc(CCCC2)c2cc1)(N(CCN1CCCCC1)C1CNCC1)=O

InChI

InChI=1S/C21H33N3O2S/c25-27(26,21-9-8-18-6-2-3-7-19(18)16-21)24(20-10-11-22-17-20)15-14-23-12-4-1-5-13-23/h8-9,16,20,22H,1-7,10-15,17H2/t20-/m0/s1

InChI Key

BOKDXZZDVPTRKU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32249919

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

391.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.032

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-3.31

Polar Surface Area

47.765

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SB91-0958 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 SB91-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0958?
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What is the minimum amount of SB91-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0958
  • 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 SB91-0958 available by request