SB91-0535 Screening compound: 1-{3-[(dimethylsulfamoyl)[2-(pyrrolidin-1-yl)ethyl]amino]pyrrolidin-1-yl}-4-phenylbutan-1-one

SB91-0535 Screening compound: 1-{3-[(dimethylsulfamoyl)[2-(pyrrolidin-1-yl)ethyl]amino]pyrrolidin-1-yl}-4-phenylbutan-1-one
SB91-0535 Screening compound: 1-{3-[(dimethylsulfamoyl)[2-(pyrrolidin-1-yl)ethyl]amino]pyrrolidin-1-yl}-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0535
1-{3-[(dimethylsulfamoyl)[2-(pyrrolidin-1-yl)ethyl]amino]pyrrolidin-1-yl}-4-phenylbutan-1-one

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

SB91-0535

Molecular Formula

C22H36N4O3S (C22 H36 N4 O3 S)

Compound Name

1-{3-[(dimethylsulfamoyl)[2-(pyrrolidin-1-yl)ethyl]amino]pyrrolidin-1-yl}-4-phenylbutan-1-one

IUPAC name

1-{3-[(dimethylsulfamoyl)[2-(pyrrolidin-1-yl)ethyl]amino]pyrrolidin-1-yl}-4-phenylbutan-1-one

SMILES

CN(C)S(N(CCN1CCCC1)C(CC1)CN1C(CCCc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C22H36N4O3S/c1-23(2)30(28,29)26(18-17-24-14-6-7-15-24)21-13-16-25(19-21)22(27)12-8-11-20-9-4-3-5-10-20/h3-5,9-10,21H,6-8,11-19H2,1-2H3/t21-/m0/s1

InChI Key

VFQPYJYMGVFELF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32250533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.207

Distribution Coefficient, logD

1.428

Water Solubility, LogSw

-2.34

Polar Surface Area

56.539

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SB91-0535 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB91-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0535?
Check Price and Availability of SB91-0535, 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 SB91-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0535
  • 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 SB91-0535 available by request