L409-0383 Screening compound: methyl 2-({[2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

L409-0383 Screening compound: methyl 2-({[2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
L409-0383 Screening compound: methyl 2-({[2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L409-0383
methyl 2-({[2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

L409-0383

Molecular Formula

C27H27N3O4S (C27 H27 N3 O4 S)

Compound Name

methyl 2-({[2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-({[2-(23-dihydro-1H-indol-1-yl)-2-oxo-1-phenylethyl]carbamoyl}amino)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

COC(c1c(NC(NC(C(N(CC2)c3c2cccc3)=O)c2ccccc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C27H27N3O4S/c1-34-26(32)22-19-12-6-8-14-21(19)35-24(22)29-27(33)28-23(18-10-3-2-4-11-18)25(31)30-16-15-17-9-5-7-13-20(17)30/h2-5,7,9-11,13,23H,6,8,12,14-16H2,1H3,(H2,28,29,33)/t23-/m1/s1

InChI Key

JTHURNPADNLICF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD15126444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.37

Polar Surface Area

69.783

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

L409-0383 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L409-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L409-0383?
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What is the minimum amount of L409-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L409-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L409-0383
  • 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 L409-0383 available by request