4022-0060 Screening compound: 7-hydroxy-4,9-dimethoxy-7-(1,1,2,2-tetrafluoroethyl)-6,7-dihydro-5H-furo[3,2-g]chromen-5-one

4022-0060 Screening compound: 7-hydroxy-4,9-dimethoxy-7-(1,1,2,2-tetrafluoroethyl)-6,7-dihydro-5H-furo[3,2-g]chromen-5-one
4022-0060 Screening compound: 7-hydroxy-4,9-dimethoxy-7-(1,1,2,2-tetrafluoroethyl)-6,7-dihydro-5H-furo[3,2-g]chromen-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4022-0060
7-hydroxy-4,9-dimethoxy-7-(1,1,2,2-tetrafluoroethyl)-6,7-dihydro-5H-furo[3,2-g]chromen-5-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

4022-0060

Molecular Formula

C15H12F4O6 (C15 H12 F4 O6)

Compound Name

7-hydroxy-4,9-dimethoxy-7-(1,1,2,2-tetrafluoroethyl)-6,7-dihydro-5H-furo[3,2-g]chromen-5-one

IUPAC name

12-hydroxy-28-dimethoxy-12-(1122-tetrafluoroethyl)-413-dioxatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraen-10-one

SMILES

COc(c(C(C1)=O)c2OC1(C(C(F)F)(F)F)O)c(cco1)c1c2OC

InChI

InChI=1S/C15H12F4O6/c1-22-9-6-3-4-24-10(6)12(23-2)11-8(9)7(20)5-14(21,25-11)15(18,19)13(16)17/h3-4,13,21H,5H2,1-2H3/t14-/m0/s1

InChI Key

KTXTWPVUDSUHEE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02626259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.342

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-2.54

Polar Surface Area

60.132

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4022-0060 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4022-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4022-0060?
Check Price and Availability of 4022-0060, 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 4022-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4022-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4022-0060
  • 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 4022-0060 available by request