4488-1477 Screening compound: N-benzyl-2-(2-fluorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4488-1477 Screening compound: N-benzyl-2-(2-fluorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4488-1477 Screening compound: N-benzyl-2-(2-fluorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1477
N-benzyl-2-(2-fluorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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

4488-1477

Molecular Formula

C24H23FN2O2S (C24 H23 FN2 O2 S)

Compound Name

N-benzyl-2-(2-fluorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-benzyl-2-(2-fluorobenzamido)-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(NCc1ccccc1)=O)c(NC(c(cccc1)c1F)=O)s2

InChI

InChI=1S/C24H23FN2O2S/c1-15-11-12-18-20(13-15)30-24(27-22(28)17-9-5-6-10-19(17)25)21(18)23(29)26-14-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,26,29)(H,27,28)/t15-/m1/s1

InChI Key

ZLBHZWOGYMLTSS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02209571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.998

Distribution Coefficient, logD

2.213

Water Solubility, LogSw

-4.77

Polar Surface Area

47.458

Acid Dissociation Constant (pKa)

4.62

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4488-1477 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Proteases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4488-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1477?
Check Price and Availability of 4488-1477, 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 4488-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1477
  • 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 4488-1477 available by request