4270-0413 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl benzoate

4270-0413 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl benzoate
4270-0413 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4270-0413
2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl benzoate

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

4270-0413

Molecular Formula

C17H9F3O4 (C17 H9 F3 O4)

Compound Name

2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl benzoate

IUPAC name

2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl benzoate

SMILES

O=C(c1ccccc1)Oc(cc1)cc(O2)c1C(C(F)(F)F)=CC2=O

InChI

InChI=1S/C17H9F3O4/c18-17(19,20)13-9-15(21)24-14-8-11(6-7-12(13)14)23-16(22)10-4-2-1-3-5-10/h1-9H

InChI Key

LDHWSFNVZYGNHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02215452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.80

Polar Surface Area

41.024

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 4270-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4270-0413?
Check Price and Availability of 4270-0413, 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 4270-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4270-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4270-0413
  • 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 4270-0413 available by request