K807-0078 Screening compound: 2-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrophenyl)-octahydro-1H-isoindole-1,3-dione

K807-0078 Screening compound: 2-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrophenyl)-octahydro-1H-isoindole-1,3-dione
K807-0078 Screening compound: 2-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrophenyl)-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K807-0078
2-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrophenyl)-octahydro-1H-isoindole-1,3-dione

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

K807-0078

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

2-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrophenyl)-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrophenyl)-octahydro-1H-isoindole-13-dione

SMILES

[O-][N+](c(cc(cc1)N(C(C2C3CCCC2)=O)C3=O)c1NCCC1=CCCCC1)=O

InChI

InChI=1S/C22H27N3O4/c26-21-17-8-4-5-9-18(17)22(27)24(21)16-10-11-19(20(14-16)25(28)29)23-13-12-15-6-2-1-3-7-15/h6,10-11,14,17-18,23H,1-5,7-9,12-13H2

InChI Key

ONPGTRUAILAPKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-4.09

Polar Surface Area

71.723

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

K807-0078 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K807-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K807-0078?
Check Price and Availability of K807-0078, 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 K807-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K807-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K807-0078
  • 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 K807-0078 available by request