S688-0850 Screening compound: N~1~-(3,4-dimethylphenyl)-4-(2-methoxyethyl)-4-[(methylsulfonyl)amino]tetrahydro-1(2H)-pyridinecarboxamide

S688-0850 Screening compound: N~1~-(3,4-dimethylphenyl)-4-(2-methoxyethyl)-4-[(methylsulfonyl)amino]tetrahydro-1(2H)-pyridinecarboxamide
S688-0850 Screening compound: N~1~-(3,4-dimethylphenyl)-4-(2-methoxyethyl)-4-[(methylsulfonyl)amino]tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-0850
N~1~-(3,4-dimethylphenyl)-4-(2-methoxyethyl)-4-[(methylsulfonyl)amino]tetrahydro-1(2H)-pyridinecarboxamide

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

S688-0850

Molecular Formula

C18H29N3O4S (C18 H29 N3 O4 S)

Compound Name

N~1~-(3,4-dimethylphenyl)-4-(2-methoxyethyl)-4-[(methylsulfonyl)amino]tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(34-dimethylphenyl)-4-methanesulfonamido-4-(2-methoxyethyl)piperidine-1-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(N(CC1)CCC1(CCOC)NS(C)(=O)=O)=O

InChI

InChI=1S/C18H29N3O4S/c1-14-5-6-16(13-15(14)2)19-17(22)21-10-7-18(8-11-21,9-12-25-3)20-26(4,23)24/h5-6,13,20H,7-12H2,1-4H3,(H,19,22)

InChI Key

WVAVLBAUUZXILS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.899

Distribution Coefficient, logD

1.899

Water Solubility, LogSw

-2.77

Polar Surface Area

77.089

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S688-0850 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S688-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-0850?
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What is the minimum amount of S688-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-0850
  • 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 S688-0850 available by request