S697-1575 Screening compound: 4-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-[(5-methyl-2-furyl)methyl]piperidine

S697-1575 Screening compound: 4-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-[(5-methyl-2-furyl)methyl]piperidine
S697-1575 Screening compound: 4-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-[(5-methyl-2-furyl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S697-1575
4-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-[(5-methyl-2-furyl)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

S697-1575

Molecular Formula

C17H25N3O (C17 H25 N3 O)

Compound Name

4-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-[(5-methyl-2-furyl)methyl]piperidine

IUPAC name

4-[(25-dimethyl-1H-imidazol-1-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperidine

SMILES

Cc1cnc(C)n1CC1CCN(Cc2ccc(C)o2)CC1

InChI

InChI=1S/C17H25N3O/c1-13-10-18-15(3)20(13)11-16-6-8-19(9-7-16)12-17-5-4-14(2)21-17/h4-5,10,16H,6-9,11-12H2,1-3H3

InChI Key

CEHMYVQGAIWGSI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

1.054

Water Solubility, LogSw

-2.55

Polar Surface Area

23.196

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

9.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

S697-1575 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S697-1575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S697-1575?
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What is the minimum amount of S697-1575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S697-1575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S697-1575
  • 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 S697-1575 available by request