E722-2497 Screening compound: N~3~-(5-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

E722-2497 Screening compound: N~3~-(5-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
E722-2497 Screening compound: N~3~-(5-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-2497
N~3~-(5-chloro-2-methylphenyl)-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

E722-2497

Molecular Formula

C19H18ClNOS2 (C19 H18 ClNOS2)

Compound Name

N~3~-(5-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1NC(C(SC1)=Cc2c1c(CCCC1)c1s2)=O

InChI

InChI=1S/C19H18ClNOS2/c1-11-6-7-12(20)8-15(11)21-19(22)18-9-17-14(10-23-18)13-4-2-3-5-16(13)24-17/h6-9H,2-5,10H2,1H3,(H,21,22)

InChI Key

OTIZZNBBTPZGPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.94

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.753

Distribution Coefficient, logD

5.753

Water Solubility, LogSw

-5.80

Polar Surface Area

23.491

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with E722-2497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2497?
Check Price and Availability of E722-2497, 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 E722-2497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2497
  • 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 E722-2497 available by request