S693-1198 Screening compound: 4-[1-({1-[(2,4-difluorophenyl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine

S693-1198 Screening compound: 4-[1-({1-[(2,4-difluorophenyl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine
S693-1198 Screening compound: 4-[1-({1-[(2,4-difluorophenyl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1198
4-[1-({1-[(2,4-difluorophenyl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine

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

S693-1198

Molecular Formula

C22H24F2N4 (C22 H24 F2 N4)

Compound Name

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

IUPAC name

4-[1-({1-[(24-difluorophenyl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine

SMILES

Cc1cnc(-c2ccncc2)n1CC1CN(Cc(ccc(F)c2)c2F)CCC1

InChI

InChI=1S/C22H24F2N4/c1-16-12-26-22(18-6-8-25-9-7-18)28(16)14-17-3-2-10-27(13-17)15-19-4-5-20(23)11-21(19)24/h4-9,11-12,17H,2-3,10,13-15H2,1H3/t17-/m0/s1

InChI Key

MPGUOAUTDSGANY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32225886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.56

Polar Surface Area

24.246

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

S693-1198 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S693-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1198?
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What is the minimum amount of S693-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1198
  • 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 S693-1198 available by request