2732-4434 Screening compound: ethyl 2-(2,2-dimethylpropanamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

2732-4434 Screening compound: ethyl 2-(2,2-dimethylpropanamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
2732-4434 Screening compound: ethyl 2-(2,2-dimethylpropanamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2732-4434
ethyl 2-(2,2-dimethylpropanamido)-5-[(4-methoxyphenyl)carbamoyl]-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

2732-4434

Molecular Formula

C21H26N2O5S (C21 H26 N2 O5 S)

Compound Name

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

IUPAC name

ethyl 2-(22-dimethylpropanamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-7-28-19(25)15-12(2)16(29-18(15)23-20(26)21(3,4)5)17(24)22-13-8-10-14(27-6)11-9-13/h8-11H,7H2,1-6H3,(H,22,24)(H,23,26)

InChI Key

IZPOBKRNCCTIJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.823

Distribution Coefficient, logD

0.426

Water Solubility, LogSw

-4.26

Polar Surface Area

74.784

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 2732-4434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2732-4434?
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What is the minimum amount of 2732-4434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2732-4434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2732-4434
  • 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 2732-4434 available by request