SB04-0430 Screening compound: N,N-dimethyl-3-{[2-(1-methyl-1H-imidazole-4-sulfonamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide

SB04-0430 Screening compound: N,N-dimethyl-3-{[2-(1-methyl-1H-imidazole-4-sulfonamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide
SB04-0430 Screening compound: N,N-dimethyl-3-{[2-(1-methyl-1H-imidazole-4-sulfonamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0430
N,N-dimethyl-3-{[2-(1-methyl-1H-imidazole-4-sulfonamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide

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

SB04-0430

Molecular Formula

C18H32N6O4S (C18 H32 N6 O4 S)

Compound Name

N,N-dimethyl-3-{[2-(1-methyl-1H-imidazole-4-sulfonamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide

IUPAC name

NN-dimethyl-3-{[2-(1-methyl-1H-imidazole-4-sulfonamido)ethyl](oxan-4-yl)amino}pyrrolidine-1-carboxamide

SMILES

CN(C)C(N(CC1)CC1N(CCNS(c1cn(C)cn1)(=O)=O)C1CCOCC1)=O

InChI

InChI=1S/C18H32N6O4S/c1-21(2)18(25)23-8-4-16(12-23)24(15-5-10-28-11-6-15)9-7-20-29(26,27)17-13-22(3)14-19-17/h13-16,20H,4-12H2,1-3H3/t16-/m0/s1

InChI Key

RVURMANXWZYUAL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32245557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.087

Distribution Coefficient, logD

-2.324

Water Solubility, LogSw

-2.17

Polar Surface Area

82.143

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

SB04-0430 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 SB04-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0430?
Check Price and Availability of SB04-0430, 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 SB04-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0430
  • 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 SB04-0430 available by request