K781-0670 Screening compound: N~3~-[5-{[cyclohexyl(methyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

K781-0670 Screening compound: N~3~-[5-{[cyclohexyl(methyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide
K781-0670 Screening compound: N~3~-[5-{[cyclohexyl(methyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0670
N~3~-[5-{[cyclohexyl(methyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-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

K781-0670

Molecular Formula

C35H36N4O5 (C35 H36 N4 O5)

Compound Name

N~3~-[5-{[cyclohexyl(methyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-{5-[cyclohexyl(methyl)carbamoyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}-2-oxo-2H-chromene-3-carboxamide

SMILES

CN(C1CCCCC1)C(c(cc1)cc(NC(C2=Cc(cccc3)c3OC2=O)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C35H36N4O5/c1-37(26-9-3-2-4-10-26)34(42)24-14-15-30(38-19-22-16-25(21-38)29-11-7-13-32(40)39(29)20-22)28(18-24)36-33(41)27-17-23-8-5-6-12-31(23)44-35(27)43/h5-8,11-15,17-18,22,25-26H,2-4,9-10,16,19-21H2,1H3,(H,36,41)

InChI Key

ZVBXCROIFRPLSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

4.571

Water Solubility, LogSw

-4.71

Polar Surface Area

77.606

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.10

K781-0670 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K781-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0670?
Check Price and Availability of K781-0670, 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 K781-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0670
  • 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 K781-0670 available by request