C783-0427 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide

C783-0427 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
C783-0427 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C783-0427
N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridine-4-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

C783-0427

Molecular Formula

C23H28FN3O3S (C23 H28 FN3 O3 S)

Compound Name

N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide

IUPAC name

N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorobenzenesulfonyl)-1236-tetrahydropyridine-4-carboxamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(C(CC1)=CCN1S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C23H28FN3O3S/c1-4-26(5-2)20-8-11-22(17(3)16-20)25-23(28)18-12-14-27(15-13-18)31(29,30)21-9-6-19(24)7-10-21/h6-12,16H,4-5,13-15H2,1-3H3,(H,25,28)

InChI Key

PUHNSADTGAGTGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.16

Polar Surface Area

57.079

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C783-0427 in Drug Discovery

Included in Screening Libraries

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

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C783-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C783-0427?
Check Price and Availability of C783-0427, 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 C783-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C783-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C783-0427
  • 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 C783-0427 available by request