4488-1892 Screening compound: 6-tert-butyl-N-(2-hydroxyethyl)-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4488-1892 Screening compound: 6-tert-butyl-N-(2-hydroxyethyl)-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4488-1892 Screening compound: 6-tert-butyl-N-(2-hydroxyethyl)-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1892
6-tert-butyl-N-(2-hydroxyethyl)-2-(2-methylbenzamido)-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

4488-1892

Molecular Formula

C23H30N2O3S (C23 H30 N2 O3 S)

Compound Name

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

IUPAC name

6-tert-butyl-N-(2-hydroxyethyl)-2-(2-methylbenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(NCCO)=O)c(NC(c1c(C)cccc1)=O)s2

InChI

InChI=1S/C23H30N2O3S/c1-14-7-5-6-8-16(14)20(27)25-22-19(21(28)24-11-12-26)17-10-9-15(23(2,3)4)13-18(17)29-22/h5-8,15,26H,9-13H2,1-4H3,(H,24,28)(H,25,27)/t15-/m1/s1

InChI Key

WHEHXAWWFVXZQR-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02920222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

1.503

Water Solubility, LogSw

-4.34

Polar Surface Area

64.227

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

4488-1892 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4488-1892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1892?
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What is the minimum amount of 4488-1892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1892
  • 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 4488-1892 available by request