4488-1858 Screening compound: N-[6-tert-butyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide

4488-1858 Screening compound: N-[6-tert-butyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide
4488-1858 Screening compound: N-[6-tert-butyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1858
N-[6-tert-butyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide

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

4488-1858

Molecular Formula

C23H30N2O2S2 (C23 H30 N2 O2 S2)

Compound Name

N-[6-tert-butyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide

IUPAC name

N-[6-tert-butyl-3-(piperidine-1-carbonyl)-4567-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N1CCCCC1)=O)c(NC(c1cccs1)=O)s2

InChI

InChI=1S/C23H30N2O2S2/c1-23(2,3)15-9-10-16-18(14-15)29-21(24-20(26)17-8-7-13-28-17)19(16)22(27)25-11-5-4-6-12-25/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,26)/t15-/m1/s1

InChI Key

BHPMPNLYBIODNW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03017419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.661

Distribution Coefficient, logD

3.911

Water Solubility, LogSw

-5.28

Polar Surface Area

40.711

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

4488-1858 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4488-1858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1858?
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What is the minimum amount of 4488-1858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1858
  • 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 4488-1858 available by request