7066-5874 Screening compound: (2Z)-2-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

7066-5874 Screening compound: (2Z)-2-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-1-benzothiophen-3-one
7066-5874 Screening compound: (2Z)-2-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-1-benzothiophen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7066-5874
(2Z)-2-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

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

7066-5874

Molecular Formula

C20H17NOS (C20 H17 NOS)

Compound Name

(2Z)-2-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

IUPAC name

(2Z)-2-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-23-dihydro-1-benzothiophen-3-one

SMILES

CC(C)n1c(cccc2)c2c(/C=C2\Sc(cccc3)c3C2=O)c1

InChI

InChI=1S/C20H17NOS/c1-13(2)21-12-14(15-7-3-5-9-17(15)21)11-19-20(22)16-8-4-6-10-18(16)23-19/h3-13H,1-2H3

InChI Key

JPJQCZIDYAIGTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04375671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.73

Polar Surface Area

16.195

Acid Dissociation Constant (pKa)

26.43

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

7066-5874 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7066-5874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7066-5874?
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What is the minimum amount of 7066-5874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7066-5874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7066-5874
  • 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 7066-5874 available by request