K786-7740 Screening compound: N-(3-methylbutyl)-5-({[(4-methylphenyl)methyl]sulfanyl}methyl)furan-2-carboxamide

K786-7740 Screening compound: N-(3-methylbutyl)-5-({[(4-methylphenyl)methyl]sulfanyl}methyl)furan-2-carboxamide
K786-7740 Screening compound: N-(3-methylbutyl)-5-({[(4-methylphenyl)methyl]sulfanyl}methyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-7740
N-(3-methylbutyl)-5-({[(4-methylphenyl)methyl]sulfanyl}methyl)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

K786-7740

Molecular Formula

C19H25NO2S (C19 H25 NO2 S)

Compound Name

N-(3-methylbutyl)-5-({[(4-methylphenyl)methyl]sulfanyl}methyl)furan-2-carboxamide

IUPAC name

N-(3-methylbutyl)-5-({[(4-methylphenyl)methyl]sulfanyl}methyl)furan-2-carboxamide

SMILES

CC(C)CCNC(c1ccc(CSCc2ccc(C)cc2)o1)=O

InChI

InChI=1S/C19H25NO2S/c1-14(2)10-11-20-19(21)18-9-8-17(22-18)13-23-12-16-6-4-15(3)5-7-16/h4-9,14H,10-13H2,1-3H3,(H,20,21)

InChI Key

IDTUBQFGQPRCGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03833382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.843

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.48

Polar Surface Area

32.335

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

K786-7740 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with K786-7740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7740?
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What is the minimum amount of K786-7740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-7740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-7740
  • 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 K786-7740 available by request