Y031-2297 Screening compound: N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-(phenylsulfanyl)acetamide

Y031-2297 Screening compound: N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-(phenylsulfanyl)acetamide
Y031-2297 Screening compound: N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-(phenylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2297
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-(phenylsulfanyl)acetamide

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

Y031-2297

Molecular Formula

C19H20N2OS (C19 H20 N2 OS)

Compound Name

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-(phenylsulfanyl)acetamide

IUPAC name

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-(phenylsulfanyl)acetamide

SMILES

Cc(cc1)cc2c1[nH]cc2CCNC(CSc1ccccc1)=O

InChI

InChI=1S/C19H20N2OS/c1-14-7-8-18-17(11-14)15(12-21-18)9-10-20-19(22)13-23-16-5-3-2-4-6-16/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22)

InChI Key

XDFQCALUSUQMBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07082275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.578

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-3.77

Polar Surface Area

34.151

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

Y031-2297 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y031-2297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2297?
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What is the minimum amount of Y031-2297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2297
  • 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 Y031-2297 available by request