S691-0108 Screening compound: 1-{3-[(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-1-yl}propan-1-one

S691-0108 Screening compound: 1-{3-[(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-1-yl}propan-1-one
S691-0108 Screening compound: 1-{3-[(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S691-0108
1-{3-[(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-1-yl}propan-1-one

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

S691-0108

Molecular Formula

C15H23N3O (C15 H23 N3 O)

Compound Name

1-{3-[(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-1-yl}propan-1-one

IUPAC name

1-{3-[(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-1-yl}propan-1-one

SMILES

CCC(N1CC(Cc2ncc(C)n2C2CC2)CC1)=O

InChI

InChI=1S/C15H23N3O/c1-3-15(19)17-7-6-12(10-17)8-14-16-9-11(2)18(14)13-4-5-13/h9,12-13H,3-8,10H2,1-2H3/t12-/m0/s1

InChI Key

OAXGVIZYMJSCJB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD30463246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.924

Distribution Coefficient, logD

0.172

Water Solubility, LogSw

-1.86

Polar Surface Area

29.727

Acid Dissociation Constant (pKa)

22.69

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

S691-0108 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S691-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S691-0108?
Check Price and Availability of S691-0108, 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 S691-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S691-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S691-0108
  • 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 S691-0108 available by request