2827-4568 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate

2827-4568 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate
2827-4568 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2827-4568
ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-[2-(thiophen-2-yl)acetamido]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

2827-4568

Molecular Formula

C24H24N2O6S2 (C24 H24 N2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(Cc2cccs2)=O)sc(C(Nc(cc2)ccc2C(OCC)=O)=O)c1C)=O

InChI

InChI=1S/C24H24N2O6S2/c1-4-31-23(29)15-8-10-16(11-9-15)25-21(28)20-14(3)19(24(30)32-5-2)22(34-20)26-18(27)13-17-7-6-12-33-17/h6-12H,4-5,13H2,1-3H3,(H,25,28)(H,26,27)

InChI Key

BDZUXBYJPJYTTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

1.109

Water Solubility, LogSw

-4.31

Polar Surface Area

88.528

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

2827-4568 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2827-4568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2827-4568?
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What is the minimum amount of 2827-4568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2827-4568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2827-4568
  • 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 2827-4568 available by request