4488-1551 Screening compound: 3-methyl-N-[6-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

4488-1551 Screening compound: 3-methyl-N-[6-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
4488-1551 Screening compound: 3-methyl-N-[6-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1551
3-methyl-N-[6-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

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

4488-1551

Molecular Formula

C23H28N2O2S (C23 H28 N2 O2 S)

Compound Name

3-methyl-N-[6-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

IUPAC name

3-methyl-N-[6-methyl-3-(piperidine-1-carbonyl)-4567-tetrahydro-1-benzothiophen-2-yl]benzamide

SMILES

CC(CC1)Cc2c1c(C(N1CCCCC1)=O)c(NC(c1cc(C)ccc1)=O)s2

InChI

InChI=1S/C23H28N2O2S/c1-15-7-6-8-17(13-15)21(26)24-22-20(23(27)25-11-4-3-5-12-25)18-10-9-16(2)14-19(18)28-22/h6-8,13,16H,3-5,9-12,14H2,1-2H3,(H,24,26)/t16-/m1/s1

InChI Key

PFCOAYPJMHLFRR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01988988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.996

Distribution Coefficient, logD

1.818

Water Solubility, LogSw

-4.68

Polar Surface Area

39.693

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

4488-1551 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4488-1551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1551?
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What is the minimum amount of 4488-1551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1551
  • 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 4488-1551 available by request