4473-0208 Screening compound: N-[6-tert-butyl-3-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide

4473-0208 Screening compound: N-[6-tert-butyl-3-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide
4473-0208 Screening compound: N-[6-tert-butyl-3-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4473-0208
N-[6-tert-butyl-3-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide

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

4473-0208

Molecular Formula

C26H33FN2O2S (C26 H33 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(c1c(NC(c(cccc2)c2F)=O)sc(C2)c1CCC2C(C)(C)C)=O

InChI

InChI=1S/C26H33FN2O2S/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

HXKJWTOSKZZHFA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03199214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.62

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

6.061

Distribution Coefficient, logD

2.482

Water Solubility, LogSw

-5.49

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

4473-0208 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 4473-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4473-0208?
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What is the minimum amount of 4473-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4473-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4473-0208
  • 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 4473-0208 available by request