3643-2342 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate

3643-2342 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
3643-2342 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2342
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate

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

3643-2342

Molecular Formula

C23H15F3O6S (C23 H15 F3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C1=C(C(F)(F)F)Oc(cc(cc2)OC(c3cccs3)=O)c2C1=O)c1)c1OC

InChI

InChI=1S/C23H15F3O6S/c1-29-15-8-5-12(10-17(15)30-2)19-20(27)14-7-6-13(31-22(28)18-4-3-9-33-18)11-16(14)32-21(19)23(24,25)26/h3-11H,1-2H3

InChI Key

WMTWNTBJLYMKIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.43

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

4.795

Distribution Coefficient, logD

4.795

Water Solubility, LogSw

-4.75

Polar Surface Area

56.935

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3643-2342 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 3643-2342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2342?
Check Price and Availability of 3643-2342, 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 3643-2342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2342
  • 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 3643-2342 available by request