2852-4628 Screening compound: ethyl 5-[(4-methoxyphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate

2852-4628 Screening compound: ethyl 5-[(4-methoxyphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate
2852-4628 Screening compound: ethyl 5-[(4-methoxyphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2852-4628
ethyl 5-[(4-methoxyphenyl)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

2852-4628

Molecular Formula

C22H22N2O5S2 (C22 H22 N2 O5 S2)

Compound Name

ethyl 5-[(4-methoxyphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate

IUPAC name

ethyl 5-[(4-methoxyphenyl)carbamoyl]-4-methyl-2-[2-(thiophen-2-yl)acetamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(Cc2cccs2)=O)sc(C(Nc(cc2)ccc2OC)=O)c1C)=O

InChI

InChI=1S/C22H22N2O5S2/c1-4-29-22(27)18-13(2)19(20(26)23-14-7-9-15(28-3)10-8-14)31-21(18)24-17(25)12-16-6-5-11-30-16/h5-11H,4,12H2,1-3H3,(H,23,26)(H,24,25)

InChI Key

JOIRJXZAWBLXAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

0.490

Water Solubility, LogSw

-3.95

Polar Surface Area

75.318

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

2852-4628 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2852-4628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2852-4628?
Check Price and Availability of 2852-4628, 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 2852-4628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2852-4628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2852-4628
  • 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 2852-4628 available by request