E681-0162 Screening compound: N~3~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(phenylsulfonyl)amino]nicotinamide

E681-0162 Screening compound: N~3~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(phenylsulfonyl)amino]nicotinamide
E681-0162 Screening compound: N~3~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(phenylsulfonyl)amino]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E681-0162
N~3~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(phenylsulfonyl)amino]nicotinamide

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

E681-0162

Molecular Formula

C20H17N3O5S (C20 H17 N3 O5 S)

Compound Name

N~3~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(phenylsulfonyl)amino]nicotinamide

IUPAC name

n/a

SMILES

O=C(c1cc(NS(c2ccccc2)(=O)=O)cnc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H17N3O5S/c24-20(22-15-6-7-18-19(11-15)28-9-8-27-18)14-10-16(13-21-12-14)23-29(25,26)17-4-2-1-3-5-17/h1-7,10-13,23H,8-9H2,(H,22,24)

InChI Key

REXQMXRTFWSFEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06737675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.985

Distribution Coefficient, logD

1.675

Water Solubility, LogSw

-2.77

Polar Surface Area

89.410

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

E681-0162 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with E681-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E681-0162?
Check Price and Availability of E681-0162, 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 E681-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E681-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E681-0162
  • 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 E681-0162 available by request