3130-1417 Screening compound: 8-[(dimethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one

3130-1417 Screening compound: 8-[(dimethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one
3130-1417 Screening compound: 8-[(dimethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3130-1417
8-[(dimethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-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

3130-1417

Molecular Formula

C20H18F3NO4 (C20 H18 F3 NO4)

Compound Name

8-[(dimethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

8-[(dimethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CN(C)Cc(c(OC(C(F)(F)F)=C1c(cccc2)c2OC)c(cc2)C1=O)c2O

InChI

InChI=1S/C20H18F3NO4/c1-24(2)10-13-14(25)9-8-12-17(26)16(11-6-4-5-7-15(11)27-3)19(20(21,22)23)28-18(12)13/h4-9,25H,10H2,1-3H3

InChI Key

FEEBAKPAZARPPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

2.630

Water Solubility, LogSw

-3.61

Polar Surface Area

48.028

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3130-1417 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3130-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3130-1417?
Check Price and Availability of 3130-1417, 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 3130-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3130-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3130-1417
  • 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 3130-1417 available by request