K786-2856 Screening compound: 2-({7-[(3-methoxy-3-oxopropyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate

K786-2856 Screening compound: 2-({7-[(3-methoxy-3-oxopropyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
K786-2856 Screening compound: 2-({7-[(3-methoxy-3-oxopropyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2856
2-({7-[(3-methoxy-3-oxopropyl)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

K786-2856

Molecular Formula

C16H20N4O7S (C16 H20 N4 O7 S)

Compound Name

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

IUPAC name

2-({7-[(3-methoxy-3-oxopropyl)sulfanyl]-4-nitro-213-benzoxadiazol-5-yl}amino)ethyl butanoate

SMILES

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

InChI

InChI=1S/C16H20N4O7S/c1-3-4-13(22)26-7-6-17-10-9-11(28-8-5-12(21)25-2)14-15(19-27-18-14)16(10)20(23)24/h9,17H,3-8H2,1-2H3

InChI Key

IBWBJYBDNQFYOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.42

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-3.90

Polar Surface Area

120.560

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K786-2856 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-2856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2856?
Check Price and Availability of K786-2856, 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 K786-2856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2856
  • 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 K786-2856 available by request