E647-0991 Screening compound: 1-[1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

E647-0991 Screening compound: 1-[1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
E647-0991 Screening compound: 1-[1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-0991
1-[1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

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

E647-0991

Molecular Formula

C17H22N2O2 (C17 H22 N2 O2)

Compound Name

1-[1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

IUPAC name

1-[1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-2345-tetrahydro-1H-1-benzazepin-2-one

SMILES

CC(C(N1CCCC1)=O)N(c1c(CCC2)cccc1)C2=O

InChI

InChI=1S/C17H22N2O2/c1-13(17(21)18-11-4-5-12-18)19-15-9-3-2-7-14(15)8-6-10-16(19)20/h2-3,7,9,13H,4-6,8,10-12H2,1H3/t13-/m0/s1

InChI Key

WLUSIESQXWEVSO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27600927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-2.49

Polar Surface Area

32.577

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

E647-0991 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E647-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-0991?
Check Price and Availability of E647-0991, 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 E647-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-0991
  • 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 E647-0991 available by request