SB91-0793 Screening compound: 2-ethyl-N-[2-(pyrrolidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)benzene-1-sulfonamide

SB91-0793 Screening compound: 2-ethyl-N-[2-(pyrrolidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)benzene-1-sulfonamide
SB91-0793 Screening compound: 2-ethyl-N-[2-(pyrrolidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0793
2-ethyl-N-[2-(pyrrolidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)benzene-1-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

SB91-0793

Molecular Formula

C18H29N3O2S (C18 H29 N3 O2 S)

Compound Name

2-ethyl-N-[2-(pyrrolidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)benzene-1-sulfonamide

IUPAC name

2-ethyl-N-[2-(pyrrolidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)benzene-1-sulfonamide

SMILES

CCc(cccc1)c1S(N(CCN1CCCC1)C1CNCC1)(=O)=O

InChI

InChI=1S/C18H29N3O2S/c1-2-16-7-3-4-8-18(16)24(22,23)21(17-9-10-19-15-17)14-13-20-11-5-6-12-20/h3-4,7-8,17,19H,2,5-6,9-15H2,1H3/t17-/m0/s1

InChI Key

IOHWUJCABVLODC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32249683

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

351.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.004

Distribution Coefficient, logD

1.450

Water Solubility, LogSw

-2.34

Polar Surface Area

48.210

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SB91-0793 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB91-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0793?
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What is the minimum amount of SB91-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0793
  • 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 SB91-0793 available by request