2786-4540 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(thiophene-2-amido)thiophene-3-carboxylate

2786-4540 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(thiophene-2-amido)thiophene-3-carboxylate
2786-4540 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(thiophene-2-amido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2786-4540
ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(thiophene-2-amido)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

2786-4540

Molecular Formula

C23H22N2O6S2 (C23 H22 N2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(c2cccs2)=O)sc(C(Nc(cc2)ccc2C(OCC)=O)=O)c1C)=O

InChI

InChI=1S/C23H22N2O6S2/c1-4-30-22(28)14-8-10-15(11-9-14)24-20(27)18-13(3)17(23(29)31-5-2)21(33-18)25-19(26)16-7-6-12-32-16/h6-12H,4-5H2,1-3H3,(H,24,27)(H,25,26)

InChI Key

WJDLNRLJVAUXDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

1.260

Water Solubility, LogSw

-4.56

Polar Surface Area

88.741

Acid Dissociation Constant (pKa)

3.90

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

2786-4540 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with 2786-4540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4540?
Check Price and Availability of 2786-4540, 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 2786-4540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4540
  • 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 2786-4540 available by request