K786-2847 Screening compound: 2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate

K786-2847 Screening compound: 2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
K786-2847 Screening compound: 2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2847
2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate

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

K786-2847

Molecular Formula

C17H18N4O6S (C17 H18 N4 O6 S)

Compound Name

2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate

IUPAC name

2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-213-benzoxadiazol-5-yl)amino]ethyl butanoate

SMILES

CCCC(OCCNc(cc(c1nonc11)SCc2ccco2)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H18N4O6S/c1-2-4-14(22)26-8-6-18-12-9-13(28-10-11-5-3-7-25-11)15-16(20-27-19-15)17(12)21(23)24/h3,5,7,9,18H,2,4,6,8,10H2,1H3

InChI Key

AFPCFKRBRCPEOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.490

Water Solubility, LogSw

-4.36

Polar Surface Area

107.458

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

K786-2847 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with K786-2847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2847?
Check Price and Availability of K786-2847, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K786-2847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2847
  • 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 K786-2847 available by request