S698-1820 Screening compound: 1-[4-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one

S698-1820 Screening compound: 1-[4-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
S698-1820 Screening compound: 1-[4-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-1820
1-[4-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-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

S698-1820

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

1-[4-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one

IUPAC name

1-[4-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-2-(35-dimethyl-12-oxazol-4-yl)ethan-1-one

SMILES

Cc1cnc(C2CCC2)n1C(CC1)CCN1C(Cc1c(C)onc1C)=O

InChI

InChI=1S/C20H28N4O2/c1-13-12-21-20(16-5-4-6-16)24(13)17-7-9-23(10-8-17)19(25)11-18-14(2)22-26-15(18)3/h12,16-17H,4-11H2,1-3H3

InChI Key

RLXKTHVOZDTHGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31965464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.150

Distribution Coefficient, logD

-0.679

Water Solubility, LogSw

-1.86

Polar Surface Area

50.218

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S698-1820 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S698-1820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-1820?
Check Price and Availability of S698-1820, 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 S698-1820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-1820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-1820
  • 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 S698-1820 available by request