K978-1346 Screening compound: 1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-(4-methoxybenzenesulfonyl)propan-1-one

K978-1346 Screening compound: 1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-(4-methoxybenzenesulfonyl)propan-1-one
K978-1346 Screening compound: 1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-(4-methoxybenzenesulfonyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-1346
1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-(4-methoxybenzenesulfonyl)propan-1-one

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

K978-1346

Molecular Formula

C27H29ClN2O4S (C27 H29 ClN2 O4 S)

Compound Name

1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-(4-methoxybenzenesulfonyl)propan-1-one

IUPAC name

1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-(4-methoxybenzenesulfonyl)propan-1-one

SMILES

COc(cc1)ccc1S(CCC(N(CC1)CCN1C(c1ccccc1)c(cc1)ccc1Cl)=O)(=O)=O

InChI

InChI=1S/C27H29ClN2O4S/c1-34-24-11-13-25(14-12-24)35(32,33)20-15-26(31)29-16-18-30(19-17-29)27(21-5-3-2-4-6-21)22-7-9-23(28)10-8-22/h2-14,27H,15-20H2,1H3/t27-/m0/s1

InChI Key

DALXKGCHKAZRHH-MHZLTWQESA-N

MDL Number (MFCD)

MFCD15115712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.06

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.277

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.82

Polar Surface Area

55.501

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

K978-1346 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K978-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K978-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-1346
  • 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 K978-1346 available by request