Y300-0950 Screening compound: N-{3-chloro-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-N-methylmethanesulfonamide

Y300-0950 Screening compound: N-{3-chloro-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-N-methylmethanesulfonamide
Y300-0950 Screening compound: N-{3-chloro-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-N-methylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-0950
N-{3-chloro-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-N-methylmethanesulfonamide

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

Y300-0950

Molecular Formula

C19H21ClFN3O3S (C19 H21 ClFN3 O3 S)

Compound Name

N-{3-chloro-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-N-methylmethanesulfonamide

IUPAC name

N-{3-chloro-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-N-methylmethanesulfonamide

SMILES

CN(c(cc1)cc(Cl)c1C(N(CC1)CCN1c(cc1)ccc1F)=O)S(C)(=O)=O

InChI

InChI=1S/C19H21ClFN3O3S/c1-22(28(2,26)27)16-7-8-17(18(20)13-16)19(25)24-11-9-23(10-12-24)15-5-3-14(21)4-6-15/h3-8,13H,9-12H2,1-2H3

InChI Key

MSLWAGXNNIHXGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18484156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.65

Polar Surface Area

52.732

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

Y300-0950 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 Y300-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-0950?
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What is the minimum amount of Y300-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-0950
  • 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 Y300-0950 available by request