S776-1813 Screening compound: 1-(furan-3-carbonyl)-4-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}piperidine

S776-1813 Screening compound: 1-(furan-3-carbonyl)-4-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}piperidine
S776-1813 Screening compound: 1-(furan-3-carbonyl)-4-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S776-1813
1-(furan-3-carbonyl)-4-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}piperidine

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

S776-1813

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

1-(furan-3-carbonyl)-4-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}piperidine

IUPAC name

1-(furan-3-carbonyl)-4-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}piperidine

SMILES

Cc1cnc(COC)n1CCC(CC1)CCN1C(c1cocc1)=O

InChI

InChI=1S/C18H25N3O3/c1-14-11-19-17(13-23-2)21(14)9-5-15-3-7-20(8-4-15)18(22)16-6-10-24-12-16/h6,10-12,15H,3-5,7-9,13H2,1-2H3

InChI Key

KVUMNVRWXBLPLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

0.873

Water Solubility, LogSw

-1.65

Polar Surface Area

45.253

Acid Dissociation Constant (pKa)

24.86

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S776-1813 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S776-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S776-1813?
Check Price and Availability of S776-1813, 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 S776-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S776-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S776-1813
  • 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 S776-1813 available by request