4152-0182 Screening compound: 2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-2H-1-benzopyran-4-one

4152-0182 Screening compound: 2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-2H-1-benzopyran-4-one
4152-0182 Screening compound: 2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-2H-1-benzopyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4152-0182
2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-2H-1-benzopyran-4-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

4152-0182

Molecular Formula

C12H10F4O4 (C12 H10 F4 O4)

Compound Name

2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-2H-1-benzopyran-4-one

IUPAC name

2-hydroxy-7-methoxy-2-(1122-tetrafluoroethyl)-34-dihydro-2H-1-benzopyran-4-one

SMILES

COc(cc1)cc(OC(C2)(C(C(F)F)(F)F)O)c1C2=O

InChI

InChI=1S/C12H10F4O4/c1-19-6-2-3-7-8(17)5-11(18,20-9(7)4-6)12(15,16)10(13)14/h2-4,10,18H,5H2,1H3/t11-/m0/s1

InChI Key

AOLCPXRGICDDCR-NSHDSACASA-N

MDL Number (MFCD)

MFCD00761947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.120

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.82

Polar Surface Area

44.124

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

4152-0182 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4152-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4152-0182?
Check Price and Availability of 4152-0182, 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 4152-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4152-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4152-0182
  • 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 4152-0182 available by request