Y031-0254 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(2-methoxyethyl)sulfanyl]benzamide

Y031-0254 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(2-methoxyethyl)sulfanyl]benzamide
Y031-0254 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(2-methoxyethyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0254
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyethyl)sulfanyl]benzamide

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

Y031-0254

Molecular Formula

C17H18ClNO2S (C17 H18 ClNO2 S)

Compound Name

N-[(2-chlorophenyl)methyl]-2-[(2-methoxyethyl)sulfanyl]benzamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[(2-methoxyethyl)sulfanyl]benzamide

SMILES

COCCSc(cccc1)c1C(NCc(cccc1)c1Cl)=O

InChI

InChI=1S/C17H18ClNO2S/c1-21-10-11-22-16-9-5-3-7-14(16)17(20)19-12-13-6-2-4-8-15(13)18/h2-9H,10-12H2,1H3,(H,19,20)

InChI Key

SAVOCHJGHMWPGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06151789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.857

Distribution Coefficient, logD

3.857

Water Solubility, LogSw

-4.20

Polar Surface Area

32.994

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y031-0254 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y031-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0254?
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What is the minimum amount of Y031-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0254
  • 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 Y031-0254 available by request