S691-0450 Screening compound: 1-(cyclopropylmethyl)-5-methyl-2-({1-[(3-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-1H-imidazole

S691-0450 Screening compound: 1-(cyclopropylmethyl)-5-methyl-2-({1-[(3-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-1H-imidazole
S691-0450 Screening compound: 1-(cyclopropylmethyl)-5-methyl-2-({1-[(3-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S691-0450
1-(cyclopropylmethyl)-5-methyl-2-({1-[(3-methylphenyl)methyl]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

S691-0450

Molecular Formula

C21H29N3 (C21 H29 N3)

Compound Name

1-(cyclopropylmethyl)-5-methyl-2-({1-[(3-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-1H-imidazole

IUPAC name

1-(cyclopropylmethyl)-5-methyl-2-({1-[(3-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-1H-imidazole

SMILES

Cc1cnc(CC2CN(Cc3cc(C)ccc3)CC2)n1CC1CC1

InChI

InChI=1S/C21H29N3/c1-16-4-3-5-19(10-16)13-23-9-8-20(14-23)11-21-22-12-17(2)24(21)15-18-6-7-18/h3-5,10,12,18,20H,6-9,11,13-15H2,1-2H3/t20-/m1/s1

InChI Key

RIUYOTGTXUOMRM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD31985474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-4.05

Polar Surface Area

16.683

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S691-0450 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S691-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S691-0450?
Check Price and Availability of S691-0450, 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 S691-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S691-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S691-0450
  • 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 S691-0450 available by request