SA95-0576 Screening compound: 3-[(5-methyl-2-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1H-imidazol-1-yl)methyl]pyridine

SA95-0576 Screening compound: 3-[(5-methyl-2-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1H-imidazol-1-yl)methyl]pyridine
SA95-0576 Screening compound: 3-[(5-methyl-2-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1H-imidazol-1-yl)methyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA95-0576
3-[(5-methyl-2-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1H-imidazol-1-yl)methyl]pyridine

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

SA95-0576

Molecular Formula

C18H22N6O2S (C18 H22 N6 O2 S)

Compound Name

3-[(5-methyl-2-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1H-imidazol-1-yl)methyl]pyridine

IUPAC name

3-[(5-methyl-2-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1H-imidazol-1-yl)methyl]pyridine

SMILES

Cc1cnc(C(CCC2)N2S(c2cn(C)cn2)(=O)=O)n1Cc1cnccc1

InChI

InChI=1S/C18H22N6O2S/c1-14-9-20-18(23(14)11-15-5-3-7-19-10-15)16-6-4-8-24(16)27(25,26)17-12-22(2)13-21-17/h3,5,7,9-10,12-13,16H,4,6,8,11H2,1-2H3/t16-/m0/s1

InChI Key

VZVLUVYYUHDGJO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32244479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.423

Distribution Coefficient, logD

-1.898

Water Solubility, LogSw

-1.42

Polar Surface Area

65.629

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

9.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

SA95-0576 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA95-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA95-0576?
Check Price and Availability of SA95-0576, 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 SA95-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA95-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA95-0576
  • 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 SA95-0576 available by request