S691-0800 Screening compound: 2-{[1-(ETHYLSULFONYL)TETRAHYDRO-1H-PYRROL-3-YL]METHYL}-1-(2-METHOXYETHYL)-5-METHYL-1H-IMIDAZOLE

S691-0800 Screening compound: 2-{[1-(ETHYLSULFONYL)TETRAHYDRO-1H-PYRROL-3-YL]METHYL}-1-(2-METHOXYETHYL)-5-METHYL-1H-IMIDAZOLE
S691-0800 Screening compound: 2-{[1-(ETHYLSULFONYL)TETRAHYDRO-1H-PYRROL-3-YL]METHYL}-1-(2-METHOXYETHYL)-5-METHYL-1H-IMIDAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound S691-0800
2-{[1-(ETHYLSULFONYL)TETRAHYDRO-1H-PYRROL-3-YL]METHYL}-1-(2-METHOXYETHYL)-5-METHYL-1H-IMIDAZOLE

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

S691-0800

Molecular Formula

C14H25N3O3S (C14 H25 N3 O3 S)

Compound Name

2-{[1-(ETHYLSULFONYL)TETRAHYDRO-1H-PYRROL-3-YL]METHYL}-1-(2-METHOXYETHYL)-5-METHYL-1H-IMIDAZOLE

IUPAC name

n/a

SMILES

CCS(N1CC(Cc2ncc(C)n2CCOC)CC1)(=O)=O

InChI

InChI=1S/C14H25N3O3S/c1-4-21(18,19)16-6-5-13(11-16)9-14-15-10-12(2)17(14)7-8-20-3/h10,13H,4-9,11H2,1-3H3/t13-/m0/s1

InChI Key

ZYFWCGDMAOSMGB-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.023

Distribution Coefficient, logD

0.049

Water Solubility, LogSw

-1.70

Polar Surface Area

52.896

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.57

S691-0800 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S691-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S691-0800?
Check Price and Availability of S691-0800, 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 S691-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S691-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S691-0800
  • 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 S691-0800 available by request