3404-5428 Screening compound: ethyl 2-(3-fluorobenzamido)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

3404-5428 Screening compound: ethyl 2-(3-fluorobenzamido)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
3404-5428 Screening compound: ethyl 2-(3-fluorobenzamido)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3404-5428
ethyl 2-(3-fluorobenzamido)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-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

3404-5428

Molecular Formula

C22H18F2N2O4S (C22 H18 F2 N2 O4 S)

Compound Name

ethyl 2-(3-fluorobenzamido)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 2-(3-fluorobenzamido)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cc(F)ccc2)=O)sc(C(Nc(cccc2)c2F)=O)c1C)=O

InChI

InChI=1S/C22H18F2N2O4S/c1-3-30-22(29)17-12(2)18(20(28)25-16-10-5-4-9-15(16)24)31-21(17)26-19(27)13-7-6-8-14(23)11-13/h4-11H,3H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

HKWXUGBFBVHRAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

-0.949

Water Solubility, LogSw

-4.36

Polar Surface Area

66.271

Acid Dissociation Constant (pKa)

2.10

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3404-5428 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3404-5428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3404-5428?
Check Price and Availability of 3404-5428, 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 3404-5428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3404-5428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3404-5428
  • 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 3404-5428 available by request