K978-0927 Screening compound: 3-(4-bromobenzenesulfonyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

K978-0927 Screening compound: 3-(4-bromobenzenesulfonyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
K978-0927 Screening compound: 3-(4-bromobenzenesulfonyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0927
3-(4-bromobenzenesulfonyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]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

K978-0927

Molecular Formula

C19H20BrFN2O3S (C19 H20 BrFN2 O3 S)

Compound Name

3-(4-bromobenzenesulfonyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-(4-bromobenzenesulfonyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

SMILES

O=C(CCS(c(cc1)ccc1Br)(=O)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C19H20BrFN2O3S/c20-15-5-7-16(8-6-15)27(25,26)14-9-19(24)23-12-10-22(11-13-23)18-4-2-1-3-17(18)21/h1-8H,9-14H2

InChI Key

KODFFGUWTCDIAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.51

Polar Surface Area

48.355

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

K978-0927 in Drug Discovery

Included in Screening Libraries

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

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K978-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0927?
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What is the minimum amount of K978-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0927
  • 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 K978-0927 available by request