K978-1392 Screening compound: 1-[4-(3-chlorophenyl)piperazino]-3-[(4-methoxyphenyl)sulfonyl]-1-propanone

K978-1392 Screening compound: 1-[4-(3-chlorophenyl)piperazino]-3-[(4-methoxyphenyl)sulfonyl]-1-propanone
K978-1392 Screening compound: 1-[4-(3-chlorophenyl)piperazino]-3-[(4-methoxyphenyl)sulfonyl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-1392
1-[4-(3-chlorophenyl)piperazino]-3-[(4-methoxyphenyl)sulfonyl]-1-propanone

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

K978-1392

Molecular Formula

C20H23ClN2O4S (C20 H23 ClN2 O4 S)

Compound Name

1-[4-(3-chlorophenyl)piperazino]-3-[(4-methoxyphenyl)sulfonyl]-1-propanone

IUPAC name

n/a

SMILES

COc(cc1)ccc1S(CCC(N(CC1)CCN1c1cccc(Cl)c1)=O)(=O)=O

InChI

InChI=1S/C20H23ClN2O4S/c1-27-18-5-7-19(8-6-18)28(25,26)14-9-20(24)23-12-10-22(11-13-23)17-4-2-3-16(21)15-17/h2-8,15H,9-14H2,1H3

InChI Key

KNFPPGADTWZKAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.645

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-3.35

Polar Surface Area

56.200

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K978-1392 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with K978-1392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-1392?
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What is the minimum amount of K978-1392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-1392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-1392
  • 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 K978-1392 available by request