Y031-3442 Screening compound: 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-(phenylsulfanyl)propan-1-one

Y031-3442 Screening compound: 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-(phenylsulfanyl)propan-1-one
Y031-3442 Screening compound: 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-(phenylsulfanyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3442
1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-(phenylsulfanyl)propan-1-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

Y031-3442

Molecular Formula

C18H19NOS (C18 H19 NOS)

Compound Name

1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-(phenylsulfanyl)propan-1-one

IUPAC name

1-(2-methyl-23-dihydro-1H-indol-1-yl)-3-(phenylsulfanyl)propan-1-one

SMILES

CC(C1)N(C(CCSc2ccccc2)=O)c2c1cccc2

InChI

InChI=1S/C18H19NOS/c1-14-13-15-7-5-6-10-17(15)19(14)18(20)11-12-21-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3/t14-/m0/s1

InChI Key

QGPTTXYLTQLQGE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07152626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.09

Polar Surface Area

14.329

Acid Dissociation Constant (pKa)

22.37

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

Y031-3442 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 Y031-3442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3442?
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What is the minimum amount of Y031-3442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3442
  • 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 Y031-3442 available by request