4613-1286 Screening compound: N-[(4-chlorophenyl)methyl]-N-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methanesulfonamide

4613-1286 Screening compound: N-[(4-chlorophenyl)methyl]-N-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methanesulfonamide
4613-1286 Screening compound: N-[(4-chlorophenyl)methyl]-N-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4613-1286
N-[(4-chlorophenyl)methyl]-N-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}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

4613-1286

Molecular Formula

C25H25ClFN3O3S (C25 H25 ClFN3 O3 S)

Compound Name

N-[(4-chlorophenyl)methyl]-N-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methanesulfonamide

IUPAC name

N-[(4-chlorophenyl)methyl]-N-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methanesulfonamide

SMILES

CS(N(Cc(cc1)ccc1Cl)c(cc1)ccc1C(N(CC1)CCN1c(cccc1)c1F)=O)(=O)=O

InChI

InChI=1S/C25H25ClFN3O3S/c1-34(32,33)30(18-19-6-10-21(26)11-7-19)22-12-8-20(9-13-22)25(31)29-16-14-28(15-17-29)24-5-3-2-4-23(24)27/h2-13H,14-18H2,1H3

InChI Key

USNRLRYVRHKNQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04084180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.52

Polar Surface Area

51.164

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 4613-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4613-1286?
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What is the minimum amount of 4613-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4613-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4613-1286
  • 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 4613-1286 available by request