4986-0933 Screening compound: 4-[({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)methyl]-5-methylfuran-2-carboxylic acid

4986-0933 Screening compound: 4-[({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)methyl]-5-methylfuran-2-carboxylic acid
4986-0933 Screening compound: 4-[({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)methyl]-5-methylfuran-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4986-0933
4-[({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)methyl]-5-methylfuran-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

4986-0933

Molecular Formula

C26H30O6 (C26 H30 O6)

Compound Name

4-[({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)methyl]-5-methylfuran-2-carboxylic acid

IUPAC name

4-[({2-hexyl-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)methyl]-5-methylfuran-2-carboxylic acid

SMILES

CCCCCCc(c(OCc1c(C)oc(C(O)=O)c1)c1)cc(C2=C3CCCC2)c1OC3=O

InChI

InChI=1S/C26H30O6/c1-3-4-5-6-9-17-12-21-19-10-7-8-11-20(19)26(29)32-23(21)14-22(17)30-15-18-13-24(25(27)28)31-16(18)2/h12-14H,3-11,15H2,1-2H3,(H,27,28)

InChI Key

MIWAUWXYMFAREM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.521

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-5.41

Polar Surface Area

65.129

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4986-0933 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4986-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4986-0933?
Check Price and Availability of 4986-0933, 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 4986-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4986-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4986-0933
  • 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 4986-0933 available by request