E681-0314 Screening compound: N-[5-(2,3-DIHYDRO-1H-INDOL-1-YLCARBONYL)-3-PYRIDYL]-4-METHOXY-1-BENZENESULFONAMIDE

E681-0314 Screening compound: N-[5-(2,3-DIHYDRO-1H-INDOL-1-YLCARBONYL)-3-PYRIDYL]-4-METHOXY-1-BENZENESULFONAMIDE
E681-0314 Screening compound: N-[5-(2,3-DIHYDRO-1H-INDOL-1-YLCARBONYL)-3-PYRIDYL]-4-METHOXY-1-BENZENESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E681-0314
N-[5-(2,3-DIHYDRO-1H-INDOL-1-YLCARBONYL)-3-PYRIDYL]-4-METHOXY-1-BENZENESULFONAMIDE

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

E681-0314

Molecular Formula

C21H19N3O4S (C21 H19 N3 O4 S)

Compound Name

N-[5-(2,3-DIHYDRO-1H-INDOL-1-YLCARBONYL)-3-PYRIDYL]-4-METHOXY-1-BENZENESULFONAMIDE

IUPAC name

n/a

SMILES

COc(cc1)ccc1S(Nc1cncc(C(N(CC2)c3c2cccc3)=O)c1)(=O)=O

InChI

InChI=1S/C21H19N3O4S/c1-28-18-6-8-19(9-7-18)29(26,27)23-17-12-16(13-22-14-17)21(25)24-11-10-15-4-2-3-5-20(15)24/h2-9,12-14,23H,10-11H2,1H3

InChI Key

OZMPEVNPAHZBOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06406326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.221

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-3.60

Polar Surface Area

73.718

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E681-0314 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E681-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E681-0314?
Check Price and Availability of E681-0314, 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 E681-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E681-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E681-0314
  • 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 E681-0314 available by request