7388-0025 Screening compound: 2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)-N~1~-(1-phenylethyl)acetamide

7388-0025 Screening compound: 2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)-N~1~-(1-phenylethyl)acetamide
7388-0025 Screening compound: 2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)-N~1~-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7388-0025
2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)-N~1~-(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

7388-0025

Molecular Formula

C22H21N3O2 (C22 H21 N3 O2)

Compound Name

2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)-N~1~-(1-phenylethyl)acetamide

IUPAC name

2-{12-oxo-1013-diazatricyclo[7.4.1.0^{514}]tetradeca-13579(14)-pentaen-11-yl}-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CC(C(N1)=O)Nc2c3c1cccc3ccc2)=O

InChI

InChI=1S/C22H21N3O2/c1-14(15-7-3-2-4-8-15)23-20(26)13-19-22(27)25-18-12-6-10-16-9-5-11-17(24-19)21(16)18/h2-12,14,19,24H,13H2,1H3,(H,23,26)(H,25,27)

InChI Key

ONHYBIIKSBXDCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.660

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-4.15

Polar Surface Area

60.792

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

7388-0025 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with 7388-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7388-0025?
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What is the minimum amount of 7388-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7388-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7388-0025
  • 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 7388-0025 available by request