3729-3257 Screening compound: ethyl 2-(3-methyl-1-benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3729-3257 Screening compound: ethyl 2-(3-methyl-1-benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3729-3257 Screening compound: ethyl 2-(3-methyl-1-benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-3257
ethyl 2-(3-methyl-1-benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-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

3729-3257

Molecular Formula

C21H21NO4S (C21 H21 NO4 S)

Compound Name

ethyl 2-(3-methyl-1-benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(3-methyl-1-benzofuran-2-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2c(C)c(cccc3)c3o2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H21NO4S/c1-3-25-21(24)17-14-9-5-7-11-16(14)27-20(17)22-19(23)18-12(2)13-8-4-6-10-15(13)26-18/h4,6,8,10H,3,5,7,9,11H2,1-2H3,(H,22,23)

InChI Key

IYSIEFRTTDGGMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.341

Distribution Coefficient, logD

1.423

Water Solubility, LogSw

-5.48

Polar Surface Area

52.324

Acid Dissociation Constant (pKa)

3.48

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 3729-3257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-3257?
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What is the minimum amount of 3729-3257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-3257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-3257
  • 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 3729-3257 available by request