Y300-2018 Screening compound: N-[(2-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)sulfonyl]benzamide

Y300-2018 Screening compound: N-[(2-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)sulfonyl]benzamide
Y300-2018 Screening compound: N-[(2-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-2018
N-[(2-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)sulfonyl]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

Y300-2018

Molecular Formula

C20H25N3O4S (C20 H25 N3 O4 S)

Compound Name

N-[(2-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)sulfonyl]benzamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)sulfonyl]benzamide

SMILES

CN(CC1)CCN1S(c1cc(C(NCc(cccc2)c2OC)=O)ccc1)(=O)=O

InChI

InChI=1S/C20H25N3O4S/c1-22-10-12-23(13-11-22)28(25,26)18-8-5-7-16(14-18)20(24)21-15-17-6-3-4-9-19(17)27-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)

InChI Key

UESUPTUYWBOUFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03976973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.928

Water Solubility, LogSw

-2.77

Polar Surface Area

67.470

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

Y300-2018 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y300-2018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-2018?
Check Price and Availability of Y300-2018, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y300-2018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-2018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-2018
  • 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 Y300-2018 available by request