Y031-0190 Screening compound: N-(diphenylmethyl)-2-[(2-methoxyethyl)sulfanyl]benzamide

Y031-0190 Screening compound: N-(diphenylmethyl)-2-[(2-methoxyethyl)sulfanyl]benzamide
Y031-0190 Screening compound: N-(diphenylmethyl)-2-[(2-methoxyethyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0190
N-(diphenylmethyl)-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

Y031-0190

Molecular Formula

C23H23NO2S (C23 H23 NO2 S)

Compound Name

N-(diphenylmethyl)-2-[(2-methoxyethyl)sulfanyl]benzamide

IUPAC name

N-(diphenylmethyl)-2-[(2-methoxyethyl)sulfanyl]benzamide

SMILES

COCCSc(cccc1)c1C(NC(c1ccccc1)c1ccccc1)=O

InChI

InChI=1S/C23H23NO2S/c1-26-16-17-27-21-15-9-8-14-20(21)23(25)24-22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22H,16-17H2,1H3,(H,24,25)

InChI Key

WWBNXXMCDJROIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

4.590

Water Solubility, LogSw

-4.51

Polar Surface Area

32.075

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

Y031-0190 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0190?
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What is the minimum amount of Y031-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0190
  • 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 Y031-0190 available by request