Y050-1742 Screening compound: N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

Y050-1742 Screening compound: N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
Y050-1742 Screening compound: N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1742
N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

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

Y050-1742

Molecular Formula

C16H23Cl2N3O3S (C16 H23 Cl2 N3 O3 S)

Compound Name

N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

IUPAC name

N-[(34-dichlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

SMILES

CCN(CC1)CCN1C(CN(Cc(cc1)cc(Cl)c1Cl)S(C)(=O)=O)=O

InChI

InChI=1S/C16H23Cl2N3O3S/c1-3-19-6-8-20(9-7-19)16(22)12-21(25(2,23)24)11-13-4-5-14(17)15(18)10-13/h4-5,10H,3,6-9,11-12H2,1-2H3

InChI Key

NTSFVXHLRSCNFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07396451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

1.775

Water Solubility, LogSw

-2.84

Polar Surface Area

51.035

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

Y050-1742 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 Y050-1742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1742?
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What is the minimum amount of Y050-1742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1742
  • 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 Y050-1742 available by request