E681-1249 Screening compound: 4-(N-METHYL4-FLUOROBENZENESULFONAMIDO)-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIDINE-2-CARBOXAMIDE

E681-1249 Screening compound: 4-(N-METHYL4-FLUOROBENZENESULFONAMIDO)-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIDINE-2-CARBOXAMIDE
E681-1249 Screening compound: 4-(N-METHYL4-FLUOROBENZENESULFONAMIDO)-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIDINE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E681-1249
4-(N-METHYL4-FLUOROBENZENESULFONAMIDO)-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIDINE-2-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

E681-1249

Molecular Formula

C19H23FN4O4S (C19 H23 FN4 O4 S)

Compound Name

4-(N-METHYL4-FLUOROBENZENESULFONAMIDO)-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIDINE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CN(c1cc(C(NCCN2CCOCC2)=O)ncc1)S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C19H23FN4O4S/c1-23(29(26,27)17-4-2-15(20)3-5-17)16-6-7-21-18(14-16)19(25)22-8-9-24-10-12-28-13-11-24/h2-7,14H,8-13H2,1H3,(H,22,25)

InChI Key

FSXNEZXOOPDXQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.399

Distribution Coefficient, logD

1.369

Water Solubility, LogSw

-2.60

Polar Surface Area

78.253

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E681-1249 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E681-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E681-1249?
Check Price and Availability of E681-1249, 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 E681-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E681-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E681-1249
  • 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 E681-1249 available by request