S691-1094 Screening compound: 2-{[1-(3-fluoro-4-methoxybenzoyl)pyrrolidin-3-yl]methyl}-5-methyl-1-propyl-1H-imidazole

S691-1094 Screening compound: 2-{[1-(3-fluoro-4-methoxybenzoyl)pyrrolidin-3-yl]methyl}-5-methyl-1-propyl-1H-imidazole
S691-1094 Screening compound: 2-{[1-(3-fluoro-4-methoxybenzoyl)pyrrolidin-3-yl]methyl}-5-methyl-1-propyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S691-1094
2-{[1-(3-fluoro-4-methoxybenzoyl)pyrrolidin-3-yl]methyl}-5-methyl-1-propyl-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

S691-1094

Molecular Formula

C20H26FN3O2 (C20 H26 FN3 O2)

Compound Name

2-{[1-(3-fluoro-4-methoxybenzoyl)pyrrolidin-3-yl]methyl}-5-methyl-1-propyl-1H-imidazole

IUPAC name

2-{[1-(3-fluoro-4-methoxybenzoyl)pyrrolidin-3-yl]methyl}-5-methyl-1-propyl-1H-imidazole

SMILES

CCCn1c(CC(CC2)CN2C(c(cc2)cc(F)c2OC)=O)ncc1C

InChI

InChI=1S/C20H26FN3O2/c1-4-8-24-14(2)12-22-19(24)10-15-7-9-23(13-15)20(25)16-5-6-18(26-3)17(21)11-16/h5-6,11-12,15H,4,7-10,13H2,1-3H3/t15-/m0/s1

InChI Key

VBEXPHCUQRIHEZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31988830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

1.300

Water Solubility, LogSw

-2.94

Polar Surface Area

36.956

Acid Dissociation Constant (pKa)

25.25

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S691-1094 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S691-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S691-1094?
Check Price and Availability of S691-1094, 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 S691-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S691-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S691-1094
  • 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 S691-1094 available by request