3643-2352 Screening compound: 8-{[cyclohexyl(ethyl)amino]methyl}-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

3643-2352 Screening compound: 8-{[cyclohexyl(ethyl)amino]methyl}-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
3643-2352 Screening compound: 8-{[cyclohexyl(ethyl)amino]methyl}-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2352
8-{[cyclohexyl(ethyl)amino]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

3643-2352

Molecular Formula

C27H30F3NO5 (C27 H30 F3 NO5)

Compound Name

8-{[cyclohexyl(ethyl)amino]methyl}-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

8-{[cyclohexyl(ethyl)amino]methyl}-3-(34-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CCN(Cc(c(OC(C(F)(F)F)=C1c(cc2)cc(OC)c2OC)c(cc2)C1=O)c2O)C1CCCCC1

InChI

InChI=1S/C27H30F3NO5/c1-4-31(17-8-6-5-7-9-17)15-19-20(32)12-11-18-24(33)23(26(27(28,29)30)36-25(18)19)16-10-13-21(34-2)22(14-16)35-3/h10-14,17,32H,4-9,15H2,1-3H3

InChI Key

RYNYEZGLRIXEAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02350613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-5.18

Polar Surface Area

54.344

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

3643-2352 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3643-2352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2352?
Check Price and Availability of 3643-2352, 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 3643-2352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2352
  • 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 3643-2352 available by request