G411-0030 Screening compound: N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2H-1,3-benzodioxole-5-carboxamide

G411-0030 Screening compound: N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2H-1,3-benzodioxole-5-carboxamide
G411-0030 Screening compound: N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G411-0030
N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2H-1,3-benzodioxole-5-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

G411-0030

Molecular Formula

C23H22N2O5 (C23 H22 N2 O5)

Compound Name

N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NC(C(Oc1c2cccc1)=O)=C2NC1CCCCC1

InChI

InChI=1S/C23H22N2O5/c26-22(14-10-11-18-19(12-14)29-13-28-18)25-21-20(24-15-6-2-1-3-7-15)16-8-4-5-9-17(16)30-23(21)27/h4-5,8-12,15,24H,1-3,6-7,13H2,(H,25,26)

InChI Key

NWCNHCKFXNISNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15010427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.11

Polar Surface Area

71.725

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G411-0030 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G411-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G411-0030?
Check Price and Availability of G411-0030, 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 G411-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G411-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G411-0030
  • 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 G411-0030 available by request