3643-2301 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl ethyl carbonate

3643-2301 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl ethyl carbonate
3643-2301 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl ethyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2301
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl ethyl carbonate

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

3643-2301

Molecular Formula

C21H17F3O7 (C21 H17 F3 O7)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H17F3O7/c1-4-29-20(26)30-12-6-7-13-15(10-12)31-19(21(22,23)24)17(18(13)25)11-5-8-14(27-2)16(9-11)28-3/h5-10H,4H2,1-3H3

InChI Key

UMTXSWXGQKREAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.482

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-3.74

Polar Surface Area

64.304

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 3643-2301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2301?
Check Price and Availability of 3643-2301, 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 3643-2301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2301
  • 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 3643-2301 available by request