E722-2531 Screening compound: N~3~-isopropyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

E722-2531 Screening compound: N~3~-isopropyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
E722-2531 Screening compound: N~3~-isopropyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-2531
N~3~-isopropyl-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

E722-2531

Molecular Formula

C15H19NOS2 (C15 H19 NOS2)

Compound Name

N~3~-isopropyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

IUPAC name

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

SMILES

CC(C)NC(C(SC1)=Cc2c1c(CCCC1)c1s2)=O

InChI

InChI=1S/C15H19NOS2/c1-9(2)16-15(17)14-7-13-11(8-18-14)10-5-3-4-6-12(10)19-13/h7,9H,3-6,8H2,1-2H3,(H,16,17)

InChI Key

MYYVJEKPRAAONT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.45

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

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-3.93

Polar Surface Area

24.757

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

E722-2531 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E722-2531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2531?
Check Price and Availability of E722-2531, 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 E722-2531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2531
  • 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 E722-2531 available by request