S697-1800 Screening compound: 1-{4-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-ethoxyethan-1-one

S697-1800 Screening compound: 1-{4-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-ethoxyethan-1-one
S697-1800 Screening compound: 1-{4-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-ethoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S697-1800
1-{4-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-ethoxyethan-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

S697-1800

Molecular Formula

C18H29N3O2 (C18 H29 N3 O2)

Compound Name

1-{4-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-ethoxyethan-1-one

IUPAC name

1-{4-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-ethoxyethan-1-one

SMILES

CCOCC(N1CCC(Cn2c(C3CCC3)ncc2C)CC1)=O

InChI

InChI=1S/C18H29N3O2/c1-3-23-13-17(22)20-9-7-15(8-10-20)12-21-14(2)11-19-18(21)16-5-4-6-16/h11,15-16H,3-10,12-13H2,1-2H3

InChI Key

AJZVMELFILZMOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31977099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

-0.031

Water Solubility, LogSw

-1.59

Polar Surface Area

36.126

Acid Dissociation Constant (pKa)

22.11

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

S697-1800 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S697-1800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S697-1800?
Check Price and Availability of S697-1800, 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 S697-1800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S697-1800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S697-1800
  • 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 S697-1800 available by request