3029-1781 Screening compound: ethyl 2-[4-(propan-2-yloxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3029-1781 Screening compound: ethyl 2-[4-(propan-2-yloxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3029-1781 Screening compound: ethyl 2-[4-(propan-2-yloxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3029-1781
ethyl 2-[4-(propan-2-yloxy)benzamido]-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

3029-1781

Molecular Formula

C21H25NO4S (C21 H25 NO4 S)

Compound Name

ethyl 2-[4-(propan-2-yloxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[4-(propan-2-yloxy)benzamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2OC(C)C)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H25NO4S/c1-4-25-21(24)18-16-7-5-6-8-17(16)27-20(18)22-19(23)14-9-11-15(12-10-14)26-13(2)3/h9-13H,4-8H2,1-3H3,(H,22,23)

InChI Key

BMCDATFUKZCTHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

1.475

Water Solubility, LogSw

-4.63

Polar Surface Area

50.601

Acid Dissociation Constant (pKa)

4.07

Base Dissociation Constant (pKb)

-6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 3029-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3029-1781?
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What is the minimum amount of 3029-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3029-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3029-1781
  • 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 3029-1781 available by request