4488-1859 Screening compound: N-[6-tert-butyl-3-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chlorobenzamide

4488-1859 Screening compound: N-[6-tert-butyl-3-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chlorobenzamide
4488-1859 Screening compound: N-[6-tert-butyl-3-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1859
N-[6-tert-butyl-3-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chlorobenzamide

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

4488-1859

Molecular Formula

C26H33ClN2O2S (C26 H33 ClN2 O2 S)

Compound Name

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

IUPAC name

N-[6-tert-butyl-3-(4-methylpiperidine-1-carbonyl)-4567-tetrahydro-1-benzothiophen-2-yl]-2-chlorobenzamide

SMILES

CC(CC1)CCN1C(c1c(NC(c(cccc2)c2Cl)=O)sc(C2)c1CCC2C(C)(C)C)=O

InChI

InChI=1S/C26H33ClN2O2S/c1-16-11-13-29(14-12-16)25(31)22-19-10-9-17(26(2,3)4)15-21(19)32-24(22)28-23(30)18-7-5-6-8-20(18)27/h5-8,16-17H,9-15H2,1-4H3,(H,28,30)/t17-/m1/s1

InChI Key

BHZOLGRVFOQWLH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03017420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.08

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

6.534

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-6.12

Polar Surface Area

39.693

Acid Dissociation Constant (pKa)

3.82

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

4488-1859 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 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

References: we are preparing a list of scientific research reports with 4488-1859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1859?
Check Price and Availability of 4488-1859, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4488-1859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1859
  • 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 4488-1859 available by request