Y031-0172 Screening compound: N-(3,4-dichlorophenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide

Y031-0172 Screening compound: N-(3,4-dichlorophenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide
Y031-0172 Screening compound: N-(3,4-dichlorophenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0172
N-(3,4-dichlorophenyl)-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

Y031-0172

Molecular Formula

C16H15Cl2NO2S (C16 H15 Cl2 NO2 S)

Compound Name

N-(3,4-dichlorophenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide

IUPAC name

N-(34-dichlorophenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide

SMILES

COCCSc(cccc1)c1C(Nc(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C16H15Cl2NO2S/c1-21-8-9-22-15-5-3-2-4-12(15)16(20)19-11-6-7-13(17)14(18)10-11/h2-7,10H,8-9H2,1H3,(H,19,20)

InChI Key

BBOZWFRQZLQJNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06151633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.65

Polar Surface Area

31.672

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with Y031-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0172?
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What is the minimum amount of Y031-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0172
  • 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 Y031-0172 available by request