K978-0795 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

K978-0795 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
K978-0795 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0795
3-(4-bromobenzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

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

K978-0795

Molecular Formula

C16H12BrClF3NO3S (C16 H12 BrClF3 NO3 S)

Compound Name

3-(4-bromobenzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

IUPAC name

3-(4-bromobenzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

SMILES

O=C(CCS(c(cc1)ccc1Br)(=O)=O)Nc(cc1)cc(C(F)(F)F)c1Cl

InChI

InChI=1S/C16H12BrClF3NO3S/c17-10-1-4-12(5-2-10)26(24,25)8-7-15(23)22-11-3-6-14(18)13(9-11)16(19,20)21/h1-6,9H,7-8H2,(H,22,23)

InChI Key

GGXSGZONGHMUDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.701

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-4.99

Polar Surface Area

52.152

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K978-0795 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Proteases Annotated Library (2868 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 K978-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0795?
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What is the minimum amount of K978-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0795
  • 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 K978-0795 available by request