6079-1799 Screening compound: ethyl 4-(3,4-dimethoxyphenyl)-2-(4-fluorobenzamido)thiophene-3-carboxylate

6079-1799 Screening compound: ethyl 4-(3,4-dimethoxyphenyl)-2-(4-fluorobenzamido)thiophene-3-carboxylate
6079-1799 Screening compound: ethyl 4-(3,4-dimethoxyphenyl)-2-(4-fluorobenzamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6079-1799
ethyl 4-(3,4-dimethoxyphenyl)-2-(4-fluorobenzamido)thiophene-3-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

6079-1799

Molecular Formula

C22H20FNO5S (C22 H20 FNO5 S)

Compound Name

ethyl 4-(3,4-dimethoxyphenyl)-2-(4-fluorobenzamido)thiophene-3-carboxylate

IUPAC name

ethyl 4-(34-dimethoxyphenyl)-2-(4-fluorobenzamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2F)=O)scc1-c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C22H20FNO5S/c1-4-29-22(26)19-16(14-7-10-17(27-2)18(11-14)28-3)12-30-21(19)24-20(25)13-5-8-15(23)9-6-13/h5-12H,4H2,1-3H3,(H,24,25)

InChI Key

KLUIYWPAJAVGAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03688825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.258

Distribution Coefficient, logD

3.257

Water Solubility, LogSw

-4.46

Polar Surface Area

58.867

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

-10.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

6079-1799 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6079-1799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6079-1799?
Check Price and Availability of 6079-1799, 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 6079-1799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6079-1799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6079-1799
  • 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 6079-1799 available by request