E722-3409 Screening compound: 7-methyl-N~3~-(4-methylphenethyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

E722-3409 Screening compound: 7-methyl-N~3~-(4-methylphenethyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
E722-3409 Screening compound: 7-methyl-N~3~-(4-methylphenethyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-3409
7-methyl-N~3~-(4-methylphenethyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

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

E722-3409

Molecular Formula

C22H25NOS2 (C22 H25 NOS2)

Compound Name

7-methyl-N~3~-(4-methylphenethyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

IUPAC name

11-methyl-N-[2-(4-methylphenyl)ethyl]-48-dithiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-triene-5-carboxamide

SMILES

CC(CC1)Cc2c1c(CSC(C(NCCc1ccc(C)cc1)=O)=C1)c1s2

InChI

InChI=1S/C22H25NOS2/c1-14-3-6-16(7-4-14)9-10-23-22(24)21-12-20-18(13-25-21)17-8-5-15(2)11-19(17)26-20/h3-4,6-7,12,15H,5,8-11,13H2,1-2H3,(H,23,24)/t15-/m1/s1

InChI Key

XIVYFZORWGFHFE-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14912731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.561

Distribution Coefficient, logD

5.561

Water Solubility, LogSw

-5.41

Polar Surface Area

25.353

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with E722-3409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-3409?
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What is the minimum amount of E722-3409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-3409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-3409
  • 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 E722-3409 available by request