E977-0712 Screening compound: N-(3-chloro-4-methylphenyl)-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

E977-0712 Screening compound: N-(3-chloro-4-methylphenyl)-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
E977-0712 Screening compound: N-(3-chloro-4-methylphenyl)-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0712
N-(3-chloro-4-methylphenyl)-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-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

E977-0712

Molecular Formula

C23H26ClN3O4S (C23 H26 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(C(CCC1)CN1S(c(cc1)cc(CCC2)c1NC2=O)(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C23H26ClN3O4S/c1-15-7-8-18(13-20(15)24)25-23(29)17-5-3-11-27(14-17)32(30,31)19-9-10-21-16(12-19)4-2-6-22(28)26-21/h7-10,12-13,17H,2-6,11,14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1

InChI Key

RXEDZWBXRRUALL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14934792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.440

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-3.78

Polar Surface Area

80.126

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E977-0712 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 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
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E977-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0712?
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What is the minimum amount of E977-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0712
  • 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 E977-0712 available by request