S693-2068 Screening compound: 1-[(2,4-difluorophenyl)methyl]-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine

S693-2068 Screening compound: 1-[(2,4-difluorophenyl)methyl]-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine
S693-2068 Screening compound: 1-[(2,4-difluorophenyl)methyl]-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-2068
1-[(2,4-difluorophenyl)methyl]-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}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

S693-2068

Molecular Formula

C19H25F2N3O (C19 H25 F2 N3 O)

Compound Name

1-[(2,4-difluorophenyl)methyl]-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine

IUPAC name

1-[(24-difluorophenyl)methyl]-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine

SMILES

Cc1cnc(COC)n1CC1CN(Cc(ccc(F)c2)c2F)CCC1

InChI

InChI=1S/C19H25F2N3O/c1-14-9-22-19(13-25-2)24(14)11-15-4-3-7-23(10-15)12-16-5-6-17(20)8-18(16)21/h5-6,8-9,15H,3-4,7,10-13H2,1-2H3/t15-/m0/s1

InChI Key

WYIGVMMWXXIEIA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32225850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.282

Water Solubility, LogSw

-2.82

Polar Surface Area

24.489

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

S693-2068 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S693-2068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-2068?
Check Price and Availability of S693-2068, 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 S693-2068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-2068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-2068
  • 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 S693-2068 available by request