4182-0849 Screening compound: methyl 2-({2-ethyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate

4182-0849 Screening compound: methyl 2-({2-ethyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate
4182-0849 Screening compound: methyl 2-({2-ethyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0849
methyl 2-({2-ethyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate

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

4182-0849

Molecular Formula

C18H20O5 (C18 H20 O5)

Compound Name

methyl 2-({2-ethyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate

IUPAC name

methyl 2-({2-ethyl-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)acetate

SMILES

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

InChI

InChI=1S/C18H20O5/c1-3-11-8-14-12-6-4-5-7-13(12)18(20)23-16(14)9-15(11)22-10-17(19)21-2/h8-9H,3-7,10H2,1-2H3

InChI Key

DBNAWMAKYUQELH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.69

Polar Surface Area

49.245

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

4182-0849 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4182-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0849?
Check Price and Availability of 4182-0849, 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 4182-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0849
  • 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 4182-0849 available by request