3643-2295 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate

3643-2295 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate
3643-2295 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2295
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate

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

3643-2295

Molecular Formula

C22H19F3O6 (C22 H19 F3 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H19F3O6/c1-4-5-18(26)30-13-7-8-14-16(11-13)31-21(22(23,24)25)19(20(14)27)12-6-9-15(28-2)17(10-12)29-3/h6-11H,4-5H2,1-3H3

InChI Key

INPMRSGEMQEVNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02350571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.48

Polar Surface Area

55.593

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3643-2295 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 3643-2295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2295?
Check Price and Availability of 3643-2295, 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 3643-2295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2295
  • 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 3643-2295 available by request