S694-1060 Screening compound: 3-(5-methyl-1-{1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}-1H-imidazol-2-yl)pyridine

S694-1060 Screening compound: 3-(5-methyl-1-{1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}-1H-imidazol-2-yl)pyridine
S694-1060 Screening compound: 3-(5-methyl-1-{1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}-1H-imidazol-2-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1060
3-(5-methyl-1-{1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}-1H-imidazol-2-yl)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

S694-1060

Molecular Formula

C19H22N4S (C19 H22 N4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(CC2)CC2n2c(-c3cnccc3)ncc2C)scc1

InChI

InChI=1S/C19H22N4S/c1-14-6-9-24-18(14)13-22-8-5-17(12-22)23-15(2)10-21-19(23)16-4-3-7-20-11-16/h3-4,6-7,9-11,17H,5,8,12-13H2,1-2H3/t17-/m1/s1

InChI Key

NAOPUIOSXKLBBJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32225858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.589

Distribution Coefficient, logD

2.095

Water Solubility, LogSw

-2.09

Polar Surface Area

26.104

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

S694-1060 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S694-1060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1060?
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What is the minimum amount of S694-1060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1060
  • 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 S694-1060 available by request