K788-9447 Screening compound: 5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide

K788-9447 Screening compound: 5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide
K788-9447 Screening compound: 5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9447
5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide

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

K788-9447

Molecular Formula

C21H20BrNO4S2 (C21 H20 BrNO4 S2)

Compound Name

5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide

IUPAC name

5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide

SMILES

CSc1ccc(CCNC(c2ccc(CS(c(cc3)ccc3Br)(=O)=O)o2)=O)cc1

InChI

InChI=1S/C21H20BrNO4S2/c1-28-18-7-2-15(3-8-18)12-13-23-21(24)20-11-6-17(27-20)14-29(25,26)19-9-4-16(22)5-10-19/h2-11H,12-14H2,1H3,(H,23,24)

InChI Key

RLVKSPAMNUUWBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-4.25

Polar Surface Area

61.099

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K788-9447 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 K788-9447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9447?
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What is the minimum amount of K788-9447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9447
  • 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 K788-9447 available by request