8013-4526 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-3-morpholinonaphthoquinone

8013-4526 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-3-morpholinonaphthoquinone
8013-4526 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-3-morpholinonaphthoquinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4526
2-(1H-1,2,3-benzotriazol-1-yl)-3-morpholinonaphthoquinone

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

8013-4526

Molecular Formula

C20H16N4O3 (C20 H16 N4 O3)

Compound Name

2-(1H-1,2,3-benzotriazol-1-yl)-3-morpholinonaphthoquinone

IUPAC name

2-(1H-123-benzotriazol-1-yl)-3-(morpholin-4-yl)-14-dihydronaphthalene-14-dione

SMILES

O=C(c(cccc1)c1C1=O)C(n2nnc3c2cccc3)=C1N1CCOCC1

InChI

InChI=1S/C20H16N4O3/c25-19-13-5-1-2-6-14(13)20(26)18(17(19)23-9-11-27-12-10-23)24-16-8-4-3-7-15(16)21-22-24/h1-8H,9-12H2

InChI Key

ZGIAVNDKPDSLIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-3.19

Polar Surface Area

63.211

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8013-4526 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-4526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4526?
Check Price and Availability of 8013-4526, 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 8013-4526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4526
  • 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 8013-4526 available by request