E722-3359 Screening compound: N~3~-(4-chlorophenethyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

E722-3359 Screening compound: N~3~-(4-chlorophenethyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
E722-3359 Screening compound: N~3~-(4-chlorophenethyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-3359
N~3~-(4-chlorophenethyl)-7-methyl-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

E722-3359

Molecular Formula

C21H22ClNOS2 (C21 H22 ClNOS2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)Cc2c1c(CSC(C(NCCc(cc1)ccc1Cl)=O)=C1)c1s2

InChI

InChI=1S/C21H22ClNOS2/c1-13-2-7-16-17-12-25-20(11-19(17)26-18(16)10-13)21(24)23-9-8-14-3-5-15(22)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3,(H,23,24)/t13-/m1/s1

InChI Key

ZABOYWJCOQOUDI-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14912705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404

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

5.733

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-5.93

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

38.10

References: we are preparing a list of scientific research reports with E722-3359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-3359?
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What is the minimum amount of E722-3359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-3359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-3359
  • 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 E722-3359 available by request