S691-0818 Screening compound: 4-[(3-{[1-(2-METHOXYETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]METHYL}-1-PYRROLIDINYL)SULFONYL]BENZONITRILE

S691-0818 Screening compound: 4-[(3-{[1-(2-METHOXYETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]METHYL}-1-PYRROLIDINYL)SULFONYL]BENZONITRILE
S691-0818 Screening compound: 4-[(3-{[1-(2-METHOXYETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]METHYL}-1-PYRROLIDINYL)SULFONYL]BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound S691-0818
4-[(3-{[1-(2-METHOXYETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]METHYL}-1-PYRROLIDINYL)SULFONYL]BENZONITRILE

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

S691-0818

Molecular Formula

C19H24N4O3S (C19 H24 N4 O3 S)

Compound Name

4-[(3-{[1-(2-METHOXYETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]METHYL}-1-PYRROLIDINYL)SULFONYL]BENZONITRILE

IUPAC name

n/a

SMILES

Cc1cnc(CC(CC2)CN2S(c(cc2)ccc2C#N)(=O)=O)n1CCOC

InChI

InChI=1S/C19H24N4O3S/c1-15-13-21-19(23(15)9-10-26-2)11-17-7-8-22(14-17)27(24,25)18-5-3-16(12-20)4-6-18/h3-6,13,17H,7-11,14H2,1-2H3/t17-/m0/s1

InChI Key

SNJYYROGSZZBAM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29016018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.025

Distribution Coefficient, logD

1.050

Water Solubility, LogSw

-2.31

Polar Surface Area

69.787

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

S691-0818 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S691-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S691-0818?
Check Price and Availability of S691-0818, 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 S691-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S691-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S691-0818
  • 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 S691-0818 available by request