4300-0326 Screening compound: 3-(3,4-dimethoxyphenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

4300-0326 Screening compound: 3-(3,4-dimethoxyphenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
4300-0326 Screening compound: 3-(3,4-dimethoxyphenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0326
3-(3,4-dimethoxyphenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-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

4300-0326

Molecular Formula

C26H28F3NO5 (C26 H28 F3 NO5)

Compound Name

3-(3,4-dimethoxyphenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(34-dimethoxyphenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CCC1N(Cc(c(OC(C(F)(F)F)=C2c(cc3)cc(OC)c3OC)c(cc3)C2=O)c3O)CCCC1

InChI

InChI=1S/C26H28F3NO5/c1-4-16-7-5-6-12-30(16)14-18-19(31)10-9-17-23(32)22(25(26(27,28)29)35-24(17)18)15-8-11-20(33-2)21(13-15)34-3/h8-11,13,16,31H,4-7,12,14H2,1-3H3/t16-/m0/s1

InChI Key

BFGIHWNLHQPMKH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02332671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.940

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.44

Polar Surface Area

55.315

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

4300-0326 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 4300-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0326?
Check Price and Availability of 4300-0326, 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 4300-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0326
  • 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 4300-0326 available by request