S693-1331 Screening compound: 3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-(3-methylbenzoyl)piperidine

S693-1331 Screening compound: 3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-(3-methylbenzoyl)piperidine
S693-1331 Screening compound: 3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-(3-methylbenzoyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1331
3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-(3-methylbenzoyl)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

S693-1331

Molecular Formula

C19H25N3O (C19 H25 N3 O)

Compound Name

3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-1-(3-methylbenzoyl)piperidine

IUPAC name

3-[(25-dimethyl-1H-imidazol-1-yl)methyl]-1-(3-methylbenzoyl)piperidine

SMILES

Cc1cnc(C)n1CC(CCC1)CN1C(c1cc(C)ccc1)=O

InChI

InChI=1S/C19H25N3O/c1-14-6-4-8-18(10-14)19(23)21-9-5-7-17(12-21)13-22-15(2)11-20-16(22)3/h4,6,8,10-11,17H,5,7,9,12-13H2,1-3H3/t17-/m0/s1

InChI Key

HFPOMTAWBSRCNH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32226071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.43

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

2.622

Distribution Coefficient, logD

1.282

Water Solubility, LogSw

-2.52

Polar Surface Area

28.782

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S693-1331 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S693-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1331?
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What is the minimum amount of S693-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1331
  • 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 S693-1331 available by request