S691-0760 Screening compound: N-tert-butyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}pyrrolidine-1-carboxamide

S691-0760 Screening compound: N-tert-butyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}pyrrolidine-1-carboxamide
S691-0760 Screening compound: N-tert-butyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S691-0760
N-tert-butyl-3-{[1-(2-methoxyethyl)-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

S691-0760

Molecular Formula

C17H30N4O2 (C17 H30 N4 O2)

Compound Name

N-tert-butyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}pyrrolidine-1-carboxamide

IUPAC name

N-tert-butyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}pyrrolidine-1-carboxamide

SMILES

CC(C)(C)NC(N1CC(Cc2ncc(C)n2CCOC)CC1)=O

InChI

InChI=1S/C17H30N4O2/c1-13-11-18-15(21(13)8-9-23-5)10-14-6-7-20(12-14)16(22)19-17(2,3)4/h11,14H,6-10,12H2,1-5H3,(H,19,22)/t14-/m0/s1

InChI Key

XZJRBWOCINGYDR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31980138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

1.149

Water Solubility, LogSw

-2.62

Polar Surface Area

46.906

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

8.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

S691-0760 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S691-0760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S691-0760?
Check Price and Availability of S691-0760, 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 S691-0760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S691-0760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S691-0760
  • 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 S691-0760 available by request