E681-1323 Screening compound: 4-(N-methyl4-methylbenzenesulfonamido)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

E681-1323 Screening compound: 4-(N-methyl4-methylbenzenesulfonamido)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
E681-1323 Screening compound: 4-(N-methyl4-methylbenzenesulfonamido)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E681-1323
4-(N-methyl4-methylbenzenesulfonamido)-N-[(4-methylphenyl)methyl]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

E681-1323

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

4-(N-methyl4-methylbenzenesulfonamido)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

IUPAC name

4-(N-methyl4-methylbenzenesulfonamido)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

SMILES

Cc1ccc(CNC(c2nccc(N(C)S(c3ccc(C)cc3)(=O)=O)c2)=O)cc1

InChI

InChI=1S/C22H23N3O3S/c1-16-4-8-18(9-5-16)15-24-22(26)21-14-19(12-13-23-21)25(3)29(27,28)20-10-6-17(2)7-11-20/h4-14H,15H2,1-3H3,(H,24,26)

InChI Key

UHXQFIMQCVPPOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.16

Polar Surface Area

66.521

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E681-1323 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E681-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E681-1323?
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What is the minimum amount of E681-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E681-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E681-1323
  • 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 E681-1323 available by request