4248-0151 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate

4248-0151 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate
4248-0151 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4248-0151
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate

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

4248-0151

Molecular Formula

C26H19F3O6 (C26 H19 F3 O6)

Compound Name

3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate

IUPAC name

3-(34-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(Oc(cc1)cc(OC(C(F)(F)F)=C2c(cc3)cc(OC)c3OC)c1C2=O)=O

InChI

InChI=1S/C26H19F3O6/c1-14-4-6-15(7-5-14)25(31)34-17-9-10-18-20(13-17)35-24(26(27,28)29)22(23(18)30)16-8-11-19(32-2)21(12-16)33-3/h4-13H,1-3H3

InChI Key

NRLMRVQNTPHEJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.31

Polar Surface Area

55.916

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4248-0151 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4248-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4248-0151?
Check Price and Availability of 4248-0151, 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 4248-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4248-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4248-0151
  • 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 4248-0151 available by request