4182-0845 Screening compound: 2-ethyl-3-methoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

4182-0845 Screening compound: 2-ethyl-3-methoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
4182-0845 Screening compound: 2-ethyl-3-methoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0845
2-ethyl-3-methoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

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

4182-0845

Molecular Formula

C16H18O3 (C16 H18 O3)

Compound Name

2-ethyl-3-methoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

IUPAC name

2-ethyl-3-methoxy-6H7H8H9H10H-cyclohexa[c]chromen-6-one

SMILES

CCc(c(OC)c1)cc(C2=C3CCCC2)c1OC3=O

InChI

InChI=1S/C16H18O3/c1-3-10-8-13-11-6-4-5-7-12(11)16(17)19-15(13)9-14(10)18-2/h8-9H,3-7H2,1-2H3

InChI Key

XJWOFCGCBRNTFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.32

Polar Surface Area

28.711

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

4182-0845 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4182-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0845?
Check Price and Availability of 4182-0845, 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 4182-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0845
  • 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 4182-0845 available by request