S779-1139 Screening compound: 3-{[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]methyl}-1-pyrrolidinyl propyl sulfone

S779-1139 Screening compound: 3-{[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]methyl}-1-pyrrolidinyl propyl sulfone
S779-1139 Screening compound: 3-{[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]methyl}-1-pyrrolidinyl propyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S779-1139
3-{[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]methyl}-1-pyrrolidinyl propyl sulfone

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

S779-1139

Molecular Formula

C17H24N4O2S (C17 H24 N4 O2 S)

Compound Name

3-{[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]methyl}-1-pyrrolidinyl propyl sulfone

IUPAC name

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

SMILES

CCCS(N1CC(Cn2c(-c3cnccc3)ncc2C)CC1)(=O)=O

InChI

InChI=1S/C17H24N4O2S/c1-3-9-24(22,23)20-8-6-15(12-20)13-21-14(2)10-19-17(21)16-5-4-7-18-11-16/h4-5,7,10-11,15H,3,6,8-9,12-13H2,1-2H3/t15-/m1/s1

InChI Key

LCCNBZFFNYUKIJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31967227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.714

Distribution Coefficient, logD

1.510

Water Solubility, LogSw

-1.47

Polar Surface Area

52.846

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

S779-1139 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S779-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S779-1139?
Check Price and Availability of S779-1139, 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 S779-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S779-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S779-1139
  • 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 S779-1139 available by request