SB91-0471 Screening compound: N-[2-(morpholin-4-yl)ethyl]-N-(1-{[4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl)methanesulfonamide

SB91-0471 Screening compound: N-[2-(morpholin-4-yl)ethyl]-N-(1-{[4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl)methanesulfonamide
SB91-0471 Screening compound: N-[2-(morpholin-4-yl)ethyl]-N-(1-{[4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0471
N-[2-(morpholin-4-yl)ethyl]-N-(1-{[4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl)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

SB91-0471

Molecular Formula

C21H35N3O4S (C21 H35 N3 O4 S)

Compound Name

N-[2-(morpholin-4-yl)ethyl]-N-(1-{[4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl)methanesulfonamide

IUPAC name

N-[2-(morpholin-4-yl)ethyl]-N-(1-{[4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl)methanesulfonamide

SMILES

CC(C)Oc1ccc(CN(CC2)CC2N(CCN2CCOCC2)S(C)(=O)=O)cc1

InChI

InChI=1S/C21H35N3O4S/c1-18(2)28-21-6-4-19(5-7-21)16-23-9-8-20(17-23)24(29(3,25)26)11-10-22-12-14-27-15-13-22/h4-7,18,20H,8-17H2,1-3H3/t20-/m0/s1

InChI Key

CPSCKEWVKNQKCZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32250304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.472

Distribution Coefficient, logD

1.468

Water Solubility, LogSw

-2.24

Polar Surface Area

53.901

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SB91-0471 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 SB91-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0471?
Check Price and Availability of SB91-0471, 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 SB91-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0471
  • 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 SB91-0471 available by request