5596-0074 Screening compound: 8-{[bis(2-methoxyethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

5596-0074 Screening compound: 8-{[bis(2-methoxyethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
5596-0074 Screening compound: 8-{[bis(2-methoxyethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0074
8-{[bis(2-methoxyethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-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

5596-0074

Molecular Formula

C25H28F3NO6 (C25 H28 F3 NO6)

Compound Name

8-{[bis(2-methoxyethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

8-{[bis(2-methoxyethyl)amino]methyl}-3-(35-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

Cc1cc(OC2=C(C(F)(F)F)Oc(c(CN(CCOC)CCOC)c(cc3)O)c3C2=O)cc(C)c1

InChI

InChI=1S/C25H28F3NO6/c1-15-11-16(2)13-17(12-15)34-23-21(31)18-5-6-20(30)19(22(18)35-24(23)25(26,27)28)14-29(7-9-32-3)8-10-33-4/h5-6,11-13,30H,7-10,14H2,1-4H3

InChI Key

MAYGRIBVTYGAAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02352653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.559

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.22

Polar Surface Area

64.472

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

5596-0074 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5596-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0074?
Check Price and Availability of 5596-0074, 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 5596-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0074
  • 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 5596-0074 available by request