E977-0617 Screening compound: 1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide

E977-0617 Screening compound: 1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide
E977-0617 Screening compound: 1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0617
1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]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

E977-0617

Molecular Formula

C22H27N3O4S2 (C22 H27 N3 O4 S2)

Compound Name

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

IUPAC name

1-[(2-oxo-2345-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c(cc1)cc(CCC2)c1NC2=O)(=O)=O)NCCc1cccs1

InChI

InChI=1S/C22H27N3O4S2/c26-21-5-1-3-17-15-19(6-7-20(17)24-21)31(28,29)25-12-9-16(10-13-25)22(27)23-11-8-18-4-2-14-30-18/h2,4,6-7,14-16H,1,3,5,8-13H2,(H,23,27)(H,24,26)

InChI Key

WURRWVXWWKYYBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.955

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-2.78

Polar Surface Area

82.374

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

E977-0617 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with E977-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0617?
Check Price and Availability of E977-0617, 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 E977-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0617
  • 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 E977-0617 available by request