S691-1010 Screening compound: N-benzyl-3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidine-1-carboxamide

S691-1010 Screening compound: N-benzyl-3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidine-1-carboxamide
S691-1010 Screening compound: N-benzyl-3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S691-1010
N-benzyl-3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidine-1-carboxamide

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

S691-1010

Molecular Formula

C24H28N4O (C24 H28 N4 O)

Compound Name

N-benzyl-3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidine-1-carboxamide

IUPAC name

N-benzyl-3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidine-1-carboxamide

SMILES

Cc1cnc(CC(CC2)CN2C(NCc2ccccc2)=O)n1Cc1ccccc1

InChI

InChI=1S/C24H28N4O/c1-19-15-25-23(28(19)18-21-10-6-3-7-11-21)14-22-12-13-27(17-22)24(29)26-16-20-8-4-2-5-9-20/h2-11,15,22H,12-14,16-18H2,1H3,(H,26,29)/t22-/m0/s1

InChI Key

CTFJQXKRACAGBG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31996601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.745

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.82

Polar Surface Area

39.218

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S691-1010 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 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
  • Nervous system
  • Antiviral
  • Infections
  • Immune 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 S691-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S691-1010?
Check Price and Availability of S691-1010, 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 S691-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S691-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S691-1010
  • 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 S691-1010 available by request