E977-0599 Screening compound: N-[3-(dimethylamino)-4-methylphenyl]-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxamide

E977-0599 Screening compound: N-[3-(dimethylamino)-4-methylphenyl]-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxamide
E977-0599 Screening compound: N-[3-(dimethylamino)-4-methylphenyl]-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0599
N-[3-(dimethylamino)-4-methylphenyl]-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-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

E977-0599

Molecular Formula

C25H32N4O4S (C25 H32 N4 O4 S)

Compound Name

N-[3-(dimethylamino)-4-methylphenyl]-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-[3-(dimethylamino)-4-methylphenyl]-1-[(2-oxo-2345-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxamide

SMILES

Cc(ccc(NC(C(CC1)CCN1S(c(cc1)cc(CCC2)c1NC2=O)(=O)=O)=O)c1)c1N(C)C

InChI

InChI=1S/C25H32N4O4S/c1-17-7-8-20(16-23(17)28(2)3)26-25(31)18-11-13-29(14-12-18)34(32,33)21-9-10-22-19(15-21)5-4-6-24(30)27-22/h7-10,15-16,18H,4-6,11-14H2,1-3H3,(H,26,31)(H,27,30)

InChI Key

XQTGSFRAYWMJIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.947

Distribution Coefficient, logD

2.947

Water Solubility, LogSw

-3.53

Polar Surface Area

82.696

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

E977-0599 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E977-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0599?
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What is the minimum amount of E977-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0599
  • 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 E977-0599 available by request