4488-1770 Screening compound: 6-tert-butyl-N-(4-methoxyphenyl)-2-(2-phenoxyacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4488-1770 Screening compound: 6-tert-butyl-N-(4-methoxyphenyl)-2-(2-phenoxyacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4488-1770 Screening compound: 6-tert-butyl-N-(4-methoxyphenyl)-2-(2-phenoxyacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1770
6-tert-butyl-N-(4-methoxyphenyl)-2-(2-phenoxyacetamido)-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

4488-1770

Molecular Formula

C28H32N2O4S (C28 H32 N2 O4 S)

Compound Name

6-tert-butyl-N-(4-methoxyphenyl)-2-(2-phenoxyacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

6-tert-butyl-N-(4-methoxyphenyl)-2-(2-phenoxyacetamido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(Nc(cc1)ccc1OC)=O)c(NC(COc1ccccc1)=O)s2

InChI

InChI=1S/C28H32N2O4S/c1-28(2,3)18-10-15-22-23(16-18)35-27(30-24(31)17-34-21-8-6-5-7-9-21)25(22)26(32)29-19-11-13-20(33-4)14-12-19/h5-9,11-14,18H,10,15-17H2,1-4H3,(H,29,32)(H,30,31)/t18-/m1/s1

InChI Key

YQRYXSOSEQDNEY-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03017393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.560

Distribution Coefficient, logD

6.411

Water Solubility, LogSw

-5.76

Polar Surface Area

60.965

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

4488-1770 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Human Receptors Annotated Library (5376 compounds)

Lipid Metabolism Library (9174 compounds)

Protein Arginine Methyltransferases Library (27925 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:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4488-1770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1770?
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What is the minimum amount of 4488-1770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1770
  • 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 4488-1770 available by request