3643-2356 Screening compound: 8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

3643-2356 Screening compound: 8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
3643-2356 Screening compound: 8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2356
8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-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

3643-2356

Molecular Formula

C25H26F3NO5 (C25 H26 F3 NO5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C1=C(C(F)(F)F)Oc(c(CN2CCCCCC2)c(cc2)O)c2C1=O)c1)c1OC

InChI

InChI=1S/C25H26F3NO5/c1-32-19-10-7-15(13-20(19)33-2)21-22(31)16-8-9-18(30)17(14-29-11-5-3-4-6-12-29)23(16)34-24(21)25(26,27)28/h7-10,13,30H,3-6,11-12,14H2,1-2H3

InChI Key

GFKQAPSQXLESLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

3.851

Water Solubility, LogSw

-4.31

Polar Surface Area

55.835

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3643-2356 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)

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 3643-2356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2356?
Check Price and Availability of 3643-2356, 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 3643-2356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2356
  • 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 3643-2356 available by request