SB04-0021 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1,2-dimethyl-1H-imidazole-4-sulfonamide

SB04-0021 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1,2-dimethyl-1H-imidazole-4-sulfonamide
SB04-0021 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1,2-dimethyl-1H-imidazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0021
N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1,2-dimethyl-1H-imidazole-4-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

SB04-0021

Molecular Formula

C17H31N5O5S2 (C17 H31 N5 O5 S2)

Compound Name

N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1,2-dimethyl-1H-imidazole-4-sulfonamide

IUPAC name

N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-12-dimethyl-1H-imidazole-4-sulfonamide

SMILES

Cc1nc(S(NCCN(C(CC2)CN2S(C)(=O)=O)C2CCOCC2)(=O)=O)cn1C

InChI

InChI=1S/C17H31N5O5S2/c1-14-19-17(13-20(14)2)29(25,26)18-7-9-22(15-5-10-27-11-6-15)16-4-8-21(12-16)28(3,23)24/h13,15-16,18H,4-12H2,1-3H3/t16-/m0/s1

InChI Key

PCEUIHOENCCRHC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32245273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.205

Distribution Coefficient, logD

-0.207

Water Solubility, LogSw

-1.71

Polar Surface Area

95.750

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.35

SB04-0021 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB04-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0021?
Check Price and Availability of SB04-0021, 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 SB04-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0021
  • 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 SB04-0021 available by request