K786-9416 Screening compound: N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylbenzenesulfonyl)phenyl}acetamide

K786-9416 Screening compound: N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylbenzenesulfonyl)phenyl}acetamide
K786-9416 Screening compound: N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylbenzenesulfonyl)phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9416
N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylbenzenesulfonyl)phenyl}acetamide

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

K786-9416

Molecular Formula

C28H31N3O4S (C28 H31 N3 O4 S)

Compound Name

N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylbenzenesulfonyl)phenyl}acetamide

IUPAC name

N-{5-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylbenzenesulfonyl)phenyl}acetamide

SMILES

CC(Nc(cc(cc1)C(N(CC2)CCN2c2c(C)ccc(C)c2)=O)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C28H31N3O4S/c1-19-6-10-24(11-7-19)36(34,35)27-12-9-23(18-25(27)29-22(4)32)28(33)31-15-13-30(14-16-31)26-17-20(2)5-8-21(26)3/h5-12,17-18H,13-16H2,1-4H3,(H,29,32)

InChI Key

FWGOHABCNYJLAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.272

Water Solubility, LogSw

-4.18

Polar Surface Area

71.911

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with K786-9416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9416?
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What is the minimum amount of K786-9416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9416
  • 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 K786-9416 available by request