S779-1815 Screening compound: 2,5-dimethyl-1-{[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-1H-imidazole

S779-1815 Screening compound: 2,5-dimethyl-1-{[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-1H-imidazole
S779-1815 Screening compound: 2,5-dimethyl-1-{[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S779-1815
2,5-dimethyl-1-{[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]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

S779-1815

Molecular Formula

C16H21N3OS (C16 H21 N3 OS)

Compound Name

2,5-dimethyl-1-{[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-1H-imidazole

IUPAC name

25-dimethyl-1-{[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-1H-imidazole

SMILES

Cc1cnc(C)n1CC(CC1)CN1C(c1ccc(C)s1)=O

InChI

InChI=1S/C16H21N3OS/c1-11-8-17-13(3)19(11)10-14-6-7-18(9-14)16(20)15-5-4-12(2)21-15/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m1/s1

InChI Key

MXUMDGSICJMYRG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32228440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.43

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

2.879

Distribution Coefficient, logD

1.539

Water Solubility, LogSw

-2.93

Polar Surface Area

30.166

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S779-1815 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S779-1815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S779-1815?
Check Price and Availability of S779-1815, 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 S779-1815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S779-1815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S779-1815
  • 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 S779-1815 available by request