SB04-0126 Screening compound: 1-methanesulfonyl-N-(2-{methyl[(5-methylpyridin-2-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine

SB04-0126 Screening compound: 1-methanesulfonyl-N-(2-{methyl[(5-methylpyridin-2-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine
SB04-0126 Screening compound: 1-methanesulfonyl-N-(2-{methyl[(5-methylpyridin-2-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0126
1-methanesulfonyl-N-(2-{methyl[(5-methylpyridin-2-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine

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

SB04-0126

Molecular Formula

C20H34N4O3S (C20 H34 N4 O3 S)

Compound Name

1-methanesulfonyl-N-(2-{methyl[(5-methylpyridin-2-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine

IUPAC name

1-methanesulfonyl-N-(2-{methyl[(5-methylpyridin-2-yl)methyl]amino}ethyl)-N-(oxan-4-yl)pyrrolidin-3-amine

SMILES

Cc1cnc(CN(C)CCN(C(CC2)CN2S(C)(=O)=O)C2CCOCC2)cc1

InChI

InChI=1S/C20H34N4O3S/c1-17-4-5-18(21-14-17)15-22(2)10-11-24(19-7-12-27-13-8-19)20-6-9-23(16-20)28(3,25)26/h4-5,14,19-20H,6-13,15-16H2,1-3H3/t20-/m1/s1

InChI Key

KIPYSHCLHNGEQY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32246253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.242

Distribution Coefficient, logD

1.187

Water Solubility, LogSw

-2.08

Polar Surface Area

55.256

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

SB04-0126 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB04-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0126?
Check Price and Availability of SB04-0126, 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 SB04-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0126
  • 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 SB04-0126 available by request