S779-1836 Screening compound: {3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-pyrrolidinyl}(3-thienyl)methanone

S779-1836 Screening compound: {3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-pyrrolidinyl}(3-thienyl)methanone
S779-1836 Screening compound: {3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-pyrrolidinyl}(3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S779-1836
{3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-pyrrolidinyl}(3-thienyl)methanone

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

S779-1836

Molecular Formula

C15H19N3OS (C15 H19 N3 OS)

Compound Name

{3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-pyrrolidinyl}(3-thienyl)methanone

IUPAC name

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

SMILES

Cc1cnc(C)n1CC(CC1)CN1C(c1cscc1)=O

InChI

InChI=1S/C15H19N3OS/c1-11-7-16-12(2)18(11)9-13-3-5-17(8-13)15(19)14-4-6-20-10-14/h4,6-7,10,13H,3,5,8-9H2,1-2H3/t13-/m1/s1

InChI Key

IAMQDQQTHSFYKI-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.4

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

1.921

Distribution Coefficient, logD

0.581

Water Solubility, LogSw

-2.07

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

46.67

S779-1836 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S779-1836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S779-1836?
Check Price and Availability of S779-1836, 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 S779-1836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S779-1836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S779-1836
  • 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 S779-1836 available by request