E722-3548 Screening compound: N~3~-(3-bromobenzyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

E722-3548 Screening compound: N~3~-(3-bromobenzyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
E722-3548 Screening compound: N~3~-(3-bromobenzyl)-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 E722-3548
N~3~-(3-bromobenzyl)-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

E722-3548

Molecular Formula

C20H20BrNOS2 (C20 H20 BrNOS2)

Compound Name

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

IUPAC name

N-[(3-bromophenyl)methyl]-11-methyl-48-dithiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-triene-5-carboxamide

SMILES

CC(CC1)Cc2c1c(CSC(C(NCc1cccc(Br)c1)=O)=C1)c1s2

InChI

InChI=1S/C20H20BrNOS2/c1-12-5-6-15-16-11-24-19(9-18(16)25-17(15)7-12)20(23)22-10-13-3-2-4-14(21)8-13/h2-4,8-9,12H,5-7,10-11H2,1H3,(H,22,23)/t12-/m1/s1

InChI Key

HJVNEYPNTKQWJB-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14912740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.957

Distribution Coefficient, logD

5.957

Water Solubility, LogSw

-5.49

Polar Surface Area

25.511

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with E722-3548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-3548?
Check Price and Availability of E722-3548, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E722-3548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-3548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-3548
  • 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 E722-3548 available by request