2786-4494 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate

2786-4494 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate
2786-4494 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2786-4494
ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(3,4,5-trimethoxybenzamido)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

2786-4494

Molecular Formula

C28H30N2O9S (C28 H30 N2 O9 S)

Compound Name

ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate

IUPAC name

ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(345-trimethoxybenzamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2OC)cc(OC)c2OC)=O)sc(C(Nc(cc2)ccc2C(OCC)=O)=O)c1C)=O

InChI

InChI=1S/C28H30N2O9S/c1-7-38-27(33)16-9-11-18(12-10-16)29-25(32)23-15(3)21(28(34)39-8-2)26(40-23)30-24(31)17-13-19(35-4)22(37-6)20(14-17)36-5/h9-14H,7-8H2,1-6H3,(H,29,32)(H,30,31)

InChI Key

FDBHQFGDKJVGIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.632

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-4.55

Polar Surface Area

110.700

Acid Dissociation Constant (pKa)

4.52

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 2786-4494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4494?
Check Price and Availability of 2786-4494, 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 2786-4494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4494
  • 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 2786-4494 available by request