3490-5545 Screening compound: ethyl 5-[(2-methoxyphenyl)carbamoyl]-2-[2-(4-methoxyphenyl)acetamido]-4-methylthiophene-3-carboxylate

3490-5545 Screening compound: ethyl 5-[(2-methoxyphenyl)carbamoyl]-2-[2-(4-methoxyphenyl)acetamido]-4-methylthiophene-3-carboxylate
3490-5545 Screening compound: ethyl 5-[(2-methoxyphenyl)carbamoyl]-2-[2-(4-methoxyphenyl)acetamido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3490-5545
ethyl 5-[(2-methoxyphenyl)carbamoyl]-2-[2-(4-methoxyphenyl)acetamido]-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

3490-5545

Molecular Formula

C25H26N2O6S (C25 H26 N2 O6 S)

Compound Name

ethyl 5-[(2-methoxyphenyl)carbamoyl]-2-[2-(4-methoxyphenyl)acetamido]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-[(2-methoxyphenyl)carbamoyl]-2-[2-(4-methoxyphenyl)acetamido]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(Cc(cc2)ccc2OC)=O)sc(C(Nc(cccc2)c2OC)=O)c1C)=O

InChI

InChI=1S/C25H26N2O6S/c1-5-33-25(30)21-15(2)22(23(29)26-18-8-6-7-9-19(18)32-4)34-24(21)27-20(28)14-16-10-12-17(31-3)13-11-16/h6-13H,5,14H2,1-4H3,(H,26,29)(H,27,28)

InChI Key

SLJJKDFHUPUUGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

0.530

Water Solubility, LogSw

-4.37

Polar Surface Area

81.232

Acid Dissociation Constant (pKa)

3.88

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

3490-5545 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3490-5545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5545?
Check Price and Availability of 3490-5545, 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 3490-5545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5545
  • 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 3490-5545 available by request