E647-0080 Screening compound: 2-(2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)-N-(1-PHENYLETHYL)ACETAMIDE

E647-0080 Screening compound: 2-(2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)-N-(1-PHENYLETHYL)ACETAMIDE
E647-0080 Screening compound: 2-(2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)-N-(1-PHENYLETHYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-0080
2-(2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)-N-(1-PHENYLETHYL)ACETAMIDE

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

E647-0080

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

2-(2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)-N-(1-PHENYLETHYL)ACETAMIDE

IUPAC name

2-(2-oxo-2345-tetrahydro-1H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CN(c1c(CCC2)cccc1)C2=O)=O

InChI

InChI=1S/C20H22N2O2/c1-15(16-8-3-2-4-9-16)21-19(23)14-22-18-12-6-5-10-17(18)11-7-13-20(22)24/h2-6,8-10,12,15H,7,11,13-14H2,1H3,(H,21,23)/t15-/m0/s1

InChI Key

RWNNQESCSSRLLL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27600890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.403

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.70

Polar Surface Area

39.585

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

E647-0080 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E647-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-0080?
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What is the minimum amount of E647-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-0080
  • 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 E647-0080 available by request