SB91-0427 Screening compound: N,N-dimethyl-3-{N-[2-(morpholin-4-yl)ethyl]methanesulfonamido}pyrrolidine-1-sulfonamide

SB91-0427 Screening compound: N,N-dimethyl-3-{N-[2-(morpholin-4-yl)ethyl]methanesulfonamido}pyrrolidine-1-sulfonamide
SB91-0427 Screening compound: N,N-dimethyl-3-{N-[2-(morpholin-4-yl)ethyl]methanesulfonamido}pyrrolidine-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0427
N,N-dimethyl-3-{N-[2-(morpholin-4-yl)ethyl]methanesulfonamido}pyrrolidine-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

SB91-0427

Molecular Formula

C13H28N4O5S2 (C13 H28 N4 O5 S2)

Compound Name

N,N-dimethyl-3-{N-[2-(morpholin-4-yl)ethyl]methanesulfonamido}pyrrolidine-1-sulfonamide

IUPAC name

NN-dimethyl-3-{N-[2-(morpholin-4-yl)ethyl]methanesulfonamido}pyrrolidine-1-sulfonamide

SMILES

CN(C)S(N(CC1)CC1N(CCN1CCOCC1)S(C)(=O)=O)(=O)=O

InChI

InChI=1S/C13H28N4O5S2/c1-14(2)24(20,21)16-5-4-13(12-16)17(23(3,18)19)7-6-15-8-10-22-11-9-15/h13H,4-12H2,1-3H3/t13-/m1/s1

InChI Key

BUSBWOKGXWVKQU-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32250082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.162

Distribution Coefficient, logD

-1.162

Water Solubility, LogSw

-0.23

Polar Surface Area

79.436

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

SB91-0427 in Drug Discovery

Included in Screening Libraries

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 SB91-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0427?
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What is the minimum amount of SB91-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0427
  • 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 SB91-0427 available by request