4986-1411 Screening compound: 6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl furan-2-carboxylate

4986-1411 Screening compound: 6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl furan-2-carboxylate
4986-1411 Screening compound: 6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4986-1411
6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl furan-2-carboxylate

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

4986-1411

Molecular Formula

C18H14O5 (C18 H14 O5)

Compound Name

6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl furan-2-carboxylate

IUPAC name

6-methyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl furan-2-carboxylate

SMILES

Cc(c(O1)c(cc2)C(CCC3)=C3C1=O)c2OC(c1ccco1)=O

InChI

InChI=1S/C18H14O5/c1-10-14(22-18(20)15-6-3-9-21-15)8-7-12-11-4-2-5-13(11)17(19)23-16(10)12/h3,6-9H,2,4-5H2,1H3

InChI Key

XCVIFCBSMKJKCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-3.20

Polar Surface Area

50.174

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4986-1411 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4986-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4986-1411?
Check Price and Availability of 4986-1411, 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 4986-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4986-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4986-1411
  • 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 4986-1411 available by request