C301-7839 Screening compound: 3-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-4-methoxybenzamide

C301-7839 Screening compound: 3-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-4-methoxybenzamide
C301-7839 Screening compound: 3-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7839
3-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-4-methoxybenzamide

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

C301-7839

Molecular Formula

C23H23BrN2O4 (C23 H23 BrN2 O4)

Compound Name

3-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-4-methoxybenzamide

IUPAC name

3-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-4-methoxybenzamide

SMILES

COc(ccc(C(NC(C(Oc1c2cccc1)=O)=C2NC1CCCCC1)=O)c1)c1Br

InChI

InChI=1S/C23H23BrN2O4/c1-29-19-12-11-14(13-17(19)24)22(27)26-21-20(25-15-7-3-2-4-8-15)16-9-5-6-10-18(16)30-23(21)28/h5-6,9-13,15,25H,2-4,7-8H2,1H3,(H,26,27)

InChI Key

GJCVGPVWEQDABU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.598

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-4.54

Polar Surface Area

62.240

Acid Dissociation Constant (pKa)

6.48

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C301-7839 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 C301-7839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7839?
Check Price and Availability of C301-7839, 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 C301-7839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7839
  • 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 C301-7839 available by request