SB04-0149 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylpyridine-3-sulfonamide

SB04-0149 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylpyridine-3-sulfonamide
SB04-0149 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylpyridine-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0149
N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylpyridine-3-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

SB04-0149

Molecular Formula

C18H30N4O5S2 (C18 H30 N4 O5 S2)

Compound Name

N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylpyridine-3-sulfonamide

IUPAC name

N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methylpyridine-3-sulfonamide

SMILES

CN(CCN(C(CC1)CN1S(C)(=O)=O)C1CCOCC1)S(c1cnccc1)(=O)=O

InChI

InChI=1S/C18H30N4O5S2/c1-20(29(25,26)18-4-3-8-19-14-18)10-11-22(16-6-12-27-13-7-16)17-5-9-21(15-17)28(2,23)24/h3-4,8,14,16-17H,5-7,9-13,15H2,1-2H3/t17-/m0/s1

InChI Key

VLDNOSBAQFOKLO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32246424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.286

Distribution Coefficient, logD

0.284

Water Solubility, LogSw

-1.36

Polar Surface Area

83.861

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

SB04-0149 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SB04-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0149?
Check Price and Availability of SB04-0149, 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 SB04-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0149
  • 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 SB04-0149 available by request