3931-2300 Screening compound: 3-(4-chlorophenyl)-8-{[cyclohexyl(ethyl)amino]methyl}-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

3931-2300 Screening compound: 3-(4-chlorophenyl)-8-{[cyclohexyl(ethyl)amino]methyl}-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
3931-2300 Screening compound: 3-(4-chlorophenyl)-8-{[cyclohexyl(ethyl)amino]methyl}-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-2300
3-(4-chlorophenyl)-8-{[cyclohexyl(ethyl)amino]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

3931-2300

Molecular Formula

C25H25ClF3NO3 (C25 H25 ClF3 NO3)

Compound Name

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

IUPAC name

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

SMILES

CCN(Cc(c(OC(C(F)(F)F)=C1c(cc2)ccc2Cl)c(cc2)C1=O)c2O)C1CCCCC1

InChI

InChI=1S/C25H25ClF3NO3/c1-2-30(17-6-4-3-5-7-17)14-19-20(31)13-12-18-22(32)21(15-8-10-16(26)11-9-15)24(25(27,28)29)33-23(18)19/h8-13,17,31H,2-7,14H2,1H3

InChI Key

OVHZLCNZAYAVFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.523

Distribution Coefficient, logD

5.516

Water Solubility, LogSw

-5.96

Polar Surface Area

39.083

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3931-2300 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3931-2300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-2300?
Check Price and Availability of 3931-2300, 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 3931-2300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-2300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-2300
  • 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 3931-2300 available by request