4986-1271 Screening compound: 5-methyl-4-[({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)methyl]furan-2-carboxylic acid

4986-1271 Screening compound: 5-methyl-4-[({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)methyl]furan-2-carboxylic acid
4986-1271 Screening compound: 5-methyl-4-[({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)methyl]furan-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4986-1271
5-methyl-4-[({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)methyl]furan-2-carboxylic acid

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

4986-1271

Molecular Formula

C20H18O6 (C20 H18 O6)

Compound Name

5-methyl-4-[({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)methyl]furan-2-carboxylic acid

IUPAC name

5-methyl-4-[({6-methyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl}oxy)methyl]furan-2-carboxylic acid

SMILES

Cc1c(COc(cc2)c(C)c(O3)c2C(CCC2)=C2C3=O)cc(C(O)=O)o1

InChI

InChI=1S/C20H18O6/c1-10-16(24-9-12-8-17(19(21)22)25-11(12)2)7-6-14-13-4-3-5-15(13)20(23)26-18(10)14/h6-8H,3-5,9H2,1-2H3,(H,21,22)

InChI Key

JDVGXAWXFUODNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02115161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

-0.221

Water Solubility, LogSw

-3.14

Polar Surface Area

65.179

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4986-1271 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4986-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4986-1271?
Check Price and Availability of 4986-1271, 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 4986-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4986-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4986-1271
  • 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 4986-1271 available by request